SCHEMBL310694

SCHEMBL310694

COc1cc(F)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL29508908 1.00 ALDH1A1 (0.46) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL19927661 0.93 ALDH1A1 (0.46) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL30613047 0.88 CYP1A2 (0.38) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL517768 0.87 ALDH1A1 (0.50) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL29661436 0.87 ALDH1A1 (0.50) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL14346488 0.86 HSPB1 (0.40) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL15744027 0.86 ALDH1A1 (0.46) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL31757016 0.85 ALDH1A1 (0.51) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL30801468 0.85 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL12458650 0.85 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695256-A2 ERBB2 INHIBITORS Cogent Biosciences, Inc. (US) 2026-02-18 EP disclosed
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME CHECKMATE THERAPEUTICS INC. (KR) 2026-01-22 US disclosed
US-20250214948-A1 TRIAZINE DERIVATIVES FOR TREATING DISEASES RELATING TO NEUROTROPHINS AlzeCure Pharma AB (SE) 2025-07-03 US disclosed
US-20250129078-A1 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. 2025-04-24 US disclosed
WO-2025067509-A1 EGFR DEGRADANT, AND PREPARATION METHOD AND USE THEREFOR 石药集团中奇制药技术(石家庄)有限公司 2025-04-03 WO disclosed
US-20250101052-A1 COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION, AND USE THEREOF INNOVATION INSTITUTE FOR ARTIFICIAL INTELLIGENCE IN MEDICINE OF ZHEJIANG UNIVERSITY (CN) 2025-03-27 US disclosed
EP-4506343-A1 HETEROARYL DERIVATIVE AND USE THEREOF Voronoi Inc. (KR) 2025-02-12 EP disclosed
US-20240383923-A1 HETEROARYL DERIVATIVE AND USE THEREOF VORONOI INC. (KR) 2024-11-21 US disclosed
CN-118946557-A Heteroaryl derivatives and uses thereof 株式会社沃若诺伊 2024-11-12 CN disclosed
US-20240360102-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-31 US disclosed
US-20070161631-A1 Substituted Phenoxyacetic Acids PHARMACIA & UPJOHN COMPANY 2007-07-12 US disclosed
US-20070161631-A1 Substituted Phenoxyacetic Acids PHARMACIA & UPJOHN COMPANY 2007-07-12 US disclosed
US-7189749-B2 Substituted phenoxyacetic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2007-03-13 US disclosed
US-7189749-B2 Substituted phenoxyacetic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2007-03-13 US disclosed
US-7189749-B2 Substituted phenoxyacetic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2007-03-13 US disclosed
US-20050239849-A1 Useful for therapy of chronic complications arising from diabetes, such as neuropathy; may also contain an angiotensin converting enzyme inhibitor THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. (US) 2005-10-27 US disclosed
US-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 US disclosed
US-6420426-B1 USED TO TREAT COMPLICATIONS FROM DIABETES MELLITUS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2002-07-16 US disclosed
EP-1198451-A2 SUBSTITUTED PHENOXYACETIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2002-04-24 EP disclosed
WO-2001000566-A2 SUBSTITUTED PHENOXYACETIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-01-04 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 (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-20070161631-A1 Substituted Phenoxyacetic Acids SLC5A2, GPR119, SLC5A1 ALDH1A1 432/4885TDP1 3406/4885MAPT 2825/4885
US-20250214948-A1 TRIAZINE DERIVATIVES FOR TREATING DISEASES RELATING TO NEUROTROPHINS NTRK2, BDNF, NGF ALDH1A1 2560/4885TDP1 1407/4885MAPT 89/4885
US-20250101052-A1 COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION, AND USE THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 2593/4885TDP1 4147/4885MAPT 2724/4885
US-20050239849-A1 Useful for therapy of chronic complications arising from diabetes, such as neuropathy; may also contain an angiotensin converting enzyme inhibitor ACE, DNPEP, AGT ALDH1A1 224/4885TDP1 1915/4885MAPT 1176/4885
US-20250129078-A1 ERBB2 INHIBITORS ERBB2, ERBB3, EGFR ALDH1A1 4593/4885TDP1 2988/4885MAPT 72/4885
US-20240360102-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF WEE1, WEE2, EGFR ALDH1A1 697/4885TDP1 665/4885MAPT 3170/4885
US-20240383923-A1 HETEROARYL DERIVATIVE AND USE THEREOF ERBB2, ERBB3, EGFR ALDH1A1 955/4885TDP1 4156/4885MAPT 2826/4885
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME NAMPT, NAPRT, NNT ALDH1A1 789/4885TDP1 3871/4885MAPT 1402/4885
US-20030036558-A1 Substituted phenoxyacetic acids SLC5A2, GPR119, SLC5A1 ALDH1A1 432/4885TDP1 3406/4885MAPT 2825/4885

“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.