SCHEMBL2489484

SCHEMBL2489484

CC1(C)OB(c2ccc(F)c([N+](=O)[O-])c2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HIF1A Q16665 1/20 0.56
LPL P06858 5/20 0.45
LIPG Q9Y5X9 5/20 0.45
VCAM1 P19320 1/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 4/20 0.45
MAPT P10636 3/20 0.45
ESPL1 Q14674 1/20 0.41
ROCK1 Q13464 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
EGFR P00533 1/20 0.37
CA14 Q9ULX7 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL59736 0.88 ATM (0.49) ALDH1A1HIF1ALPLLIPGVCAM1
SCHEMBL190588 0.83 TDP1 (0.54) ALDH1A1LPLLIPGLMNAMAPT
SCHEMBL4550135 0.83 ALDH1A1 (0.47) ALDH1A1LPLLIPGLMNAMAPT
SCHEMBL14158127 0.82 ALDH1A1 (0.56) ALDH1A1HIF1ALPLLIPGLMNA
SCHEMBL28452550 0.82 CA1 (0.40) ALDH1A1HIF1ALPLLIPGCA1
SCHEMBL23926487 0.82 VCAM1 (0.47) ALDH1A1LPLLIPGVCAM1LMNA
SCHEMBL23830122 0.82 ALDH1A1 (0.40) ALDH1A1HIF1ALPLLIPGVCAM1
SCHEMBL30955191 0.82 VCAM1 (0.47) ALDH1A1LPLLIPGVCAM1LMNA
SCHEMBL5259857 0.81 MAPT (0.48) ALDH1A1HIF1AVCAM1LMNAHTT
SCHEMBL29867167 0.81 ALDH1A1 (0.39) ALDH1A1HIF1ALPLLIPGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519409-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION GILEAD SCIENCES INC (US) 2024-09-18 EP disclosed
US-20230406838-A1 MUTANT SELECTIVE EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-12-21 US disclosed
US-11691986-B2 PTEFB inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 US disclosed
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
EP-4126839-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS Dong-A ST Co., Ltd. (KR) 2023-02-08 EP disclosed
CN-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 CN disclosed
US-20220267353-A1 PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-25 US disclosed
WO-2022067063-A1 MUTANT SELECTIVE EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-03-31 WO disclosed
US-11242356-B2 PTEFb inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2022-02-08 US disclosed
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
WO-2013159064-A1 BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-10-24 WO disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO 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 (7 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-11242356-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB ALDH1A1 2433/4885HIF1A 2362/4885LPL 2629/4885
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK ALDH1A1 3488/4885HIF1A 4846/4885LPL 1508/4885
US-20230406838-A1 MUTANT SELECTIVE EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 4014/4885HIF1A 2322/4885LPL 3126/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ALDH1A1 355/4885HIF1A 4094/4885LPL 895/4885
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 ALDH1A1 240/4885HIF1A 157/4885LPL 2250/4885
US-11691986-B2 PTEFB inhibiting macrocyclic compounds PCLAF, PPIB, RHEB ALDH1A1 2433/4885HIF1A 2362/4885LPL 2629/4885
US-20220267353-A1 PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PPIB, RHEB ALDH1A1 2433/4885HIF1A 2362/4885LPL 2629/4885

“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.