SCHEMBL397240

SCHEMBL397240

CCOC(=O)c1cc2c([N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.56
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 4/20 0.50
LMNA P02545 4/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.48
HCRTR1 O43613 1/20 0.46
ALOX15 P16050 1/20 0.46
CACNA1C Q13936 2/20 0.46
CACNA1F O60840 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL916437 0.87 KDM4E (0.46) HRH4ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL8653049 0.85 HRH4 (0.59) HRH4ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL913995 0.82 KDM4E (0.47) HRH4ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL5789445 0.81 RAB9A (0.41) HRH4ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL915375 0.81 L3MBTL1 (0.43) HRH4ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7971857 0.81 ALOX15 (0.54) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD
SCHEMBL28844710 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD
SCHEMBL701020 0.81 KDM4E (0.57) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD
SCHEMBL913891 0.80 KDM4E (0.56) HRH4ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL22620711 0.80 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-03-30 US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US disclosed
CN-110770233-B Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2022-07-26 CN disclosed
EP-3882245-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2021-09-22 EP disclosed
CN-105693701-B Modulators of ATP-binding cassette transporters 弗特克斯药品有限公司 2021-08-10 CN disclosed
EP-3327016-B1 PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2021-06-16 EP disclosed
US-5716968-A ANTIINFLAMMATORY AGENTS; VIRICIDE PROCYON PHARMACEUTICALS, INC. (US) 1998-02-10 US disclosed
US-5643948-A ANTIINFLAMMATORY, ANTICANCER PROCYON PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP disclosed
WO-1997015575-A1 PROTEIN KINASE C MODULATORS. Y. PROCYON PHARMACEUTICALS, INC. (US) 1997-05-01 WO disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed
EP-0553107-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARMACEUTICALS, INC. (US) 1993-08-04 EP disclosed
WO-1992002484-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY ALDER RESEARCH CENTER LIMITED PARTNERSHIP (US) 1992-02-20 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 (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-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HRH4 2082/4885ALDH1A1 1961/4885KDM4E 4235/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HRH4 2082/4885ALDH1A1 1961/4885KDM4E 4235/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HRH4 2082/4885ALDH1A1 1961/4885KDM4E 4235/4885
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HRH4 2082/4885ALDH1A1 1961/4885KDM4E 4235/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HRH4 2082/4885ALDH1A1 1961/4885KDM4E 4235/4885

“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.