SCHEMBL331522

SCHEMBL331522

Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
TSHR P16473 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 3/20 0.47
PTPN5 P54829 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL9761896 0.86 TDP1 (0.55) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL30515345 0.85 ALDH1A1 (0.64) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL204956 0.85 ALDH1A1 (0.64) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL11012181 0.82 MAPT (0.52) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL7240751 0.82 ALDH1A1 (0.60) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL29942185 0.82 ALDH1A1 (0.60) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL6297719 0.81 TDP1 (0.58) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL3778792 0.79 MAPK1 (0.55) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL113070 0.79 TDP1 (0.60) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL1998640 0.79 CYP3A4 (0.52) ALDH1A1TSHRTDP1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106045195-A Device for treating carbon tetrachloride through interception net and enzymolysis filler jointly and working method thereof 徐州市城区水资源管理处 2016-10-26 CN claimed
CN-102584822-B 1,3-benzodiazole naphthalimide derivative with C, preparation method and appliance thereof UNIV SHANGHAI JIAOTONG 2014-08-06 CN claimed
CN-102584822-A 1,3-benzodiazole naphthalimide derivative with c, preparation method and appliance thereof UNIV SHANGHAI JIAOTONG 2012-07-18 CN claimed
EP-0568977-B1 Stabilized aminobenzotrifluorides HOECHST AG (DE) 1996-08-21 EP claimed
US-5349104-A Base stabilized compound for heat resistance and storage stability HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-20 US claimed
EP-0568977-A2 Stabilized aminobenzotrifluorides HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-10 EP claimed
US-20240376084-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2024-11-14 US disclosed
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 EP disclosed
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 US disclosed
US-10065966-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2018-09-04 US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 US disclosed
US-4748277-A FLUORINATION AND HYDROLYSIS OF TRIHALOMETHYLPHENYL ISOCYANATE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-05-31 US disclosed
US-4264775-A BY DIAZOTIZATION OF ANILINES, REACTING WITH A VINYL ESTER, AND REACTING WITH A SECONDARY AMINE ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
US-4263441-A BENZOXAZOLE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-04-21 US disclosed
US-4185018-A Process for producing benzofurazan-1-oxides CIBA-GEIGY CORPORATION (US) 1980-01-22 US disclosed
EP-0002030-A1 Fluorinated benzazole derivatives, method for their preparation and their use as optical brighteners HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-30 EP disclosed
US-4107316-A Fluorurated amides of nicotinic acid and the process for the preparation thereof SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1978-08-15 US disclosed
US-3957860-A SULFAMIC ACID CIBA-GEIGY AG (CH) 1976-05-18 US 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 (5 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC ALDH1A1 3719/4885TSHR 4378/4885TDP1 2059/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC ALDH1A1 3719/4885TSHR 4378/4885TDP1 2059/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK ALDH1A1 3786/4885TSHR 3723/4885TDP1 710/4885
US-20240376084-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS SERPINB1, LTA, SERPINC1 ALDH1A1 3127/4885TSHR 2980/4885TDP1 3869/4885
US-10065966-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CDK2, PDXK, MAP4K2 ALDH1A1 3398/4885TSHR 3705/4885TDP1 839/4885

“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.