SCHEMBL6870232

SCHEMBL6870232

CNc1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.49
HTT P42858 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
GALR2 O43603 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HIF1A Q16665 1/20 0.41
CDC25B P30305 1/20 0.41
ALDH3A1 P30838 2/20 0.40
GART P22102 1/20 0.40
VCAM1 P19320 1/20 0.39
ESPL1 Q14674 1/20 0.39

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
SCHEMBL23418074 0.90 HCAR3 (0.47) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL10612556 0.85 MAPT (0.44) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL26791020 0.85 HCAR3 (0.44) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL28404114 0.85 HCAR3 (0.47) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL433329 0.85 HCAR3 (0.44) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL27076021 0.85 HCAR3 (0.44) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL430885 0.85 MAPT (0.44) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL29399114 0.85 HCAR3 (0.44) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL10981845 0.83 HCAR3 (0.55) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL12051125 0.83 HCAR3 (0.42) HCAR3HTTMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260097034-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LTD (HK) 2026-04-09 US disclosed
US-12458642-B2 Metalloenzyme inhibitor compounds CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2025-11-04 US disclosed
EP-4311577-A2 METALLOENZYME INHIBITOR COMPOUNDS Ji Xing Pharmaceuticals Hong Kong Limited (HK) 2024-01-31 EP disclosed
EP-3562487-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2023-11-29 EP disclosed
EP-3856747-B1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-07-19 EP disclosed
EP-3887370-B1 TRICYCLIC COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
US-20210322409-A1 METALLOENZYME INHIBITOR COMPOUNDS SELENITY THERAPEUTICS (BERMUDA), LTD. (BM) 2021-10-21 US disclosed
US-20210322409-A1 METALLOENZYME INHIBITOR COMPOUNDS SELENITY THERAPEUTICS (BERMUDA), LTD. (BM) 2021-10-21 US disclosed
US-20210309657-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3887370-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-06 EP disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 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 (6 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES HCAR3 221/4885HTT 4371/4885MAPT 4308/4885
US-12458642-B2 Metalloenzyme inhibitor compounds CYP11B2, CYP11B1, HSD11B2 HCAR3 4684/4885HTT 4352/4885MAPT 2593/4885
US-20210309657-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION C1R, C1S, C3AR1 HCAR3 152/4885HTT 4453/4885MAPT 4391/4885
US-20260097034-A1 METALLOENZYME INHIBITOR COMPOUNDS CPN1, TPP1, DPP4 HCAR3 4012/4885HTT 3593/4885MAPT 2173/4885
US-20210322409-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH HCAR3 4591/4885HTT 2542/4885MAPT 2388/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A HCAR3 2178/4885HTT 2346/4885MAPT 4196/4885

“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.