SCHEMBL309964

SCHEMBL309964

Cc1cc([N+](=O)[O-])c(O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.48
TTR P02766 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL31757000 1.00 GPR35 (0.48) GPR35TTRALDH1A1MAPK1HPGD
SCHEMBL4137957 0.92 GPR35 (0.48) GPR35TTRALDH1A1MAPK1HPGD
SCHEMBL21835253 0.85 GPR35 (0.47) GPR35TTRALDH1A1MAPK1HPGD
SCHEMBL30041049 0.85 GPR35 (0.47) GPR35TTRALDH1A1MAPK1HPGD
SCHEMBL62337 0.84 GPR35 (0.54) GPR35TTRALDH1A1MAPK1HPGD
SCHEMBL518140 0.84 GPR35 (0.50) GPR35TTRALDH1A1MAPK1HPGD
SCHEMBL107162 0.82 TDP1 (0.50) GPR35ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL2471756 0.82 ALDH1A1 (0.47) GPR35ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11547714 0.82 GPR35 (0.52) GPR35TTRALDH1A1MAPK1HPGD
SCHEMBL2326899 0.82 TDP1 (0.50) GPR35TTRALDH1A1MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME CHECKMATE THERAPEUTICS INC. (KR) 2026-01-22 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
CN-118772111-A Substituted aminopyrimidine compound, pharmaceutical composition and application thereof 江南大学 2024-10-15 CN disclosed
EP-4382520-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 EP disclosed
WO-2024072178-A1 COMPOUND FOR TARGETED PROTEIN DEGRADATION, AND USE THEREOF (주)사이러스테라퓨틱스 2024-04-04 WO disclosed
WO-2023229346-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME 주식회사 체크메이트테라퓨틱스 2023-11-30 WO disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 GPR35 1118/4885TTR 4310/4885ALDH1A1 3986/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 GPR35 3639/4885TTR 4660/4885ALDH1A1 3410/4885
US-20240360102-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF WEE1, WEE2, EGFR GPR35 2491/4885TTR 3755/4885ALDH1A1 697/4885
US-20240383923-A1 HETEROARYL DERIVATIVE AND USE THEREOF ERBB2, ERBB3, EGFR GPR35 687/4885TTR 4109/4885ALDH1A1 955/4885
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME NAMPT, NAPRT, NNT GPR35 2281/4885TTR 3324/4885ALDH1A1 789/4885

“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.