SCHEMBL6285196

SCHEMBL6285196

Clc1cc(Cl)c(-c2cc[c]o2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
AHR P35869 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL5461527 0.78 CD274 (0.37) ALDH1A1TSHR
SCHEMBL6278390 0.78 AHR (0.42) ALDH1A1AHRCYP3A4TSHRHSD17B10
SCHEMBL790579 0.74 HPGD (0.41) ALDH1A1CYP3A4TSHRHSD17B10TP53
SCHEMBL769225 0.72
SCHEMBL512928 0.71 NOTUM (0.42) ALDH1A1AHR
SCHEMBL3038941 0.69 NOTUM (0.40) ALDH1A1TSHRTP53
SCHEMBL2337861 0.69 SOS1 (0.42) ALDH1A1TSHRTP53
SCHEMBL4317762 0.68 CYP2A6 (0.41) ALDH1A1TSHRRECQLTP53
SCHEMBL2937097 0.63 TSHR (0.67) ALDH1A1AHRCYP3A4TSHRRECQL
SCHEMBL349041 0.63

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107179366-B The high-throughput non-targeted screening identification method of organo-chlorine pollutant in a kind of deposit 南京大学 2019-11-05 CN disclosed
CN-107179366-A The non-targeted examination authentication method of organo-chlorine pollutant high flux in a kind of deposit 南京大学 2017-09-19 CN disclosed
US-6878705-B2 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide antiviral agents PFIZER (US) 2005-04-12 US disclosed
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2005-03-03 US disclosed
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY 2004-12-23 US disclosed
US-6831081-B2 Herpes virus including simplex types 1 and 2, varicella zoster, human cytomegalovirus, Epstein-Barr and human 6, 7 and 8 PHARMACIA & UPJOHN 2004-12-14 US disclosed
WO-2004106345-A2 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-12-09 WO disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
US-20040110786-A1 4-Oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004022566-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-18 WO disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 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 (3 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-20040110786-A1 4-Oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, MAVS ALDH1A1 2188/4885AHR 4768/4885CYP3A4 502/4885
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS IL4, ZC3HAV1, IRF3 ALDH1A1 1363/4885AHR 4744/4885CYP3A4 89/4885
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 ALDH1A1 971/4885AHR 4339/4885CYP3A4 1649/4885

“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.