SCHEMBL998214

SCHEMBL998214

O=[N+]([O-])c1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
TXNRD1 Q16881 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29624965 1.00 TSHR (0.53) TSHRMAPK1CA1CA2MMP1
SCHEMBL11281435 0.89 TSHR (0.51) TSHRMAPK1CA1CA2MMP1
SCHEMBL1275645 0.87 MAPK1 (0.48) TSHRMAPK1TDP1MEN1KMT2A
SCHEMBL31191383 0.87 MAPK1 (0.48) TSHRMAPK1TDP1MEN1KMT2A
SCHEMBL11412090 0.82 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL969906 0.81 ATM (0.55) TDP1MEN1KMT2ATXNRD1ALDH1A1
SCHEMBL30532293 0.81 ATM (0.55) TDP1MEN1KMT2ATXNRD1ALDH1A1
SCHEMBL9192519 0.80 MAPK1 (0.62) TSHRMAPK1CA1CA2MMP1
SCHEMBL8074925 0.80 TSHR (0.50) TSHRMAPK1TDP1MEN1KMT2A
SCHEMBL14322739 0.80 MAPT (0.58) TSHRMAPK1TDP1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340521-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2025-11-06 US disclosed
US-12435047-B2 c-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-10-07 US disclosed
US-20250304590-A1 BENZODIAZOLIUM COMPOUNDS AS ENAC INHIBITORS Enterprise Therapeutics Limited (GB) 2025-10-02 US disclosed
US-12371436-B2 Substituted benzodiazoliums as ENaC inhibitors Enterprise Therapeutics Limited (GB) 2025-07-29 US disclosed
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
US-12037336-B2 Compounds with activity as inhibitors of the epithelial sodium channel (ENaC) Enterprise Therapeutics Limited (GB) 2024-07-16 US disclosed
US-20240067653-A1 BENZODIAZOLIUM COMPOUNDS AS ENAC INHIBITORS Enterprise Therapeutics Limited (GB) 2024-02-29 US disclosed
US-20230303501-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-11739094-B2 Substituted benzodiazoliums as ENaC inhibitors Enterprise Therapeutics Limited (GB) 2023-08-29 US disclosed
EP-2502624-A1 Lonidamine analogues and their use in male contraception and cancer treatment THE UNIVERSITY OF KANSAS (US) 2012-09-26 EP disclosed
EP-2451783-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT University Of Kansas (US) 2012-05-16 EP disclosed
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 US disclosed
WO-2011005759-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS (US) 2011-01-13 WO disclosed
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-7514463-B2 Lonidamine analogues and their use in male contraception and cancer treatment UNIVERSITY OF KANSAS (US) 2009-04-07 US disclosed
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP disclosed
US-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-02 US disclosed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO disclosed
EP-0063873-A1 Haloalkoxy-substituted diphenyl ethers; their use as herbicides and in herbicidal compositions and processes of making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12435047-B2 c-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same ABL1, ABL2, MUSK TSHR 4365/4885MAPK1 428/4885CA1 2508/4885
US-11739094-B2 Substituted benzodiazoliums as ENaC inhibitors NHERF1, SCNN1B, SCNN1A TSHR 1771/4885MAPK1 1770/4885CA1 3948/4885
US-12371436-B2 Substituted benzodiazoliums as ENaC inhibitors NHERF1, SCNN1B, SCNN1A TSHR 1771/4885MAPK1 1770/4885CA1 3948/4885
US-20230303501-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME ABL1, ABL2, MUSK TSHR 4365/4885MAPK1 428/4885CA1 2508/4885
US-12037336-B2 Compounds with activity as inhibitors of the epithelial sodium channel (ENaC) SCNN1B, SCNN1A, SCNN1G TSHR 1035/4885MAPK1 1448/4885CA1 3212/4885
US-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment TRAP1, HSPE1, HSF1 TSHR 4003/4885MAPK1 1006/4885CA1 4381/4885
US-20240067653-A1 BENZODIAZOLIUM COMPOUNDS AS ENAC INHIBITORS NHERF1, SCNN1B, SCNN1A TSHR 1697/4885MAPK1 1358/4885CA1 4227/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 TSHR 1986/4885MAPK1 52/4885CA1 3950/4885
US-20250340521-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME ABL1, ABL2, MUSK TSHR 4365/4885MAPK1 428/4885CA1 2508/4885
US-20250304590-A1 BENZODIAZOLIUM COMPOUNDS AS ENAC INHIBITORS NHERF1, SCNN1B, SCNN1A TSHR 1697/4885MAPK1 1358/4885CA1 4227/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR TSHR 158/4885MAPK1 1048/4885CA1 968/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.