SCHEMBL129716

SCHEMBL129716

Cc1cc(F)c(O)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.58
SELP P16109 1/20 0.58
SELE P16581 1/20 0.58
ALDH1A1 P00352 4/20 0.45
VRK1 Q99986 1/20 0.43
ACHE P22303 1/20 0.43
POLB P06746 2/20 0.42
CA2 P00918 2/20 0.42
TYR P14679 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
APEX1 P27695 1/20 0.41
MPI P34949 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
RPS6KA3 P51812 3/20 0.40
ERN1 O75460 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL12588326 0.88 SELL (0.68) SELLSELPSELEALDH1A1VRK1
SCHEMBL12217591 0.86 ALDH1A1 (0.52) SELLSELPSELEALDH1A1ACHE
SCHEMBL13855810 0.82 SELL (0.46) SELLSELPSELEALDH1A1ACHE
SCHEMBL4383630 0.82 TTR (0.46) SELLSELPSELEALDH1A1VRK1
SCHEMBL1942808 0.82 ALDH1A1 (0.60) SELLSELPSELEALDH1A1VRK1
SCHEMBL31062998 0.82 SELL (0.46) SELLSELPSELEALDH1A1ACHE
SCHEMBL13855793 0.82 SELL (0.46) SELLSELPSELEALDH1A1ACHE
SCHEMBL31716923 0.80 SELL (0.44) SELLSELPSELEALDH1A1VRK1
SCHEMBL24629320 0.78 SELL (0.42) SELLSELPSELEALDH1A1VRK1
SCHEMBL19439615 0.78 CA1 (0.48) SELLSELPSELECA2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999788-B1 RNA-DIRECTED DNA CLEAVAGE AND GENE EDITING BY CAS9 ENZYME FROM NEISSERIA MENINGITIDIS UNIV NORTHWESTERN (US) 2020-07-08 EP claimed
US-10385251-B2 Compounds, complexes, compositions, methods and systems for heating and cooling UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-08-20 US claimed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
WO-2023239634-A2 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2023-12-14 WO disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-20230286933-A1 2,5-ARYL-THIAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SOUTHERN RES INST (US) 2023-09-14 US disclosed
US-11718593-B2 2,5-aryl-thiazole analogs for the treatment of neurodegenerative diseases SOUTHERN RESEARCH INSTITUTE (US) 2023-08-08 US disclosed
US-20230242492-A1 THYROMIMETICS AUTOBAHN THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 US disclosed
WO-2007127212-A2 ANTI-VIRAL AGENTS THAT ACTIVATE RNASE L THE CLEVELAND CLINIC FOUNDATION (US) 2007-11-08 WO disclosed
WO-2007095462-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-08-23 WO disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 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 (9 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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 SELL 3744/4885SELP 3067/4885SELE 3533/4885
US-11718593-B2 2,5-aryl-thiazole analogs for the treatment of neurodegenerative diseases SMN1; SMN2, TDP2, TDP1 SELL 2094/4885SELP 3334/4885SELE 2461/4885
US-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases QDPR, DHPS, NDUFS6 SELL 2776/4885SELP 1734/4885SELE 3773/4885
US-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 SELL 1293/4885SELP 947/4885SELE 1401/4885
US-20230242492-A1 THYROMIMETICS TPO, TSHR, THOP1 SELL 4856/4885SELP 4757/4885SELE 4310/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 SELL 2791/4885SELP 2346/4885SELE 2301/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A SELL 4596/4885SELP 4132/4885SELE 4542/4885
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 SELL 4718/4885SELP 4751/4885SELE 4699/4885
US-20230286933-A1 2,5-ARYL-THIAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, TDP2, TDP1 SELL 2094/4885SELP 3334/4885SELE 2461/4885

“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.