SCHEMBL394554

SCHEMBL394554

CCOC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.64
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
HSD17B10 Q99714 1/20 0.56
HRH4 Q9H3N8 1/20 0.55
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MMP13 P45452 4/20 0.51

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
SCHEMBL656156 0.90 KDM4E (0.67) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL3029155 0.85 HRH4 (0.58) ALOX15ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5738096 0.83 MMP13 (0.69) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3067639 0.82 ALOX15 (0.49) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL7365267 0.82 HRH4 (0.55) ALOX15ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL17687449 0.81 HRH4 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5623372 0.80 KDM4E (0.78) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL5087401 0.80 MMP13 (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5676129 0.80 HRH4 (0.53) ALOX15ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL71101 0.79 ALOX15 (0.72) ALOX15KDM4EALDH1A1HPGDRAB9A

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 292 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-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 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-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 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
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-1003504-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
CN-1051301-C Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 2000-04-12 CN disclosed
WO-1999007351-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 WO disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP 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

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 ALOX15 2984/4885KDM4E 4235/4885ALDH1A1 1961/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX15 2984/4885KDM4E 4235/4885ALDH1A1 1961/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALOX15 2984/4885KDM4E 4235/4885ALDH1A1 1961/4885
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX15 2984/4885KDM4E 4235/4885ALDH1A1 1961/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX15 2984/4885KDM4E 4235/4885ALDH1A1 1961/4885

“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.