SCHEMBL3682998

SCHEMBL3682998

O=C1CCC(O)(c2nc3ccccc3s2)C(Sc2ccccc2)(Sc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
HPGD P15428 2/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 6/20 0.34
MAPT P10636 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CRBN Q96SW2 2/20 0.33

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
SCHEMBL3673583 0.73 CASR (0.46) CASRCHRM2CHRM4CHRM5CHRM1
SCHEMBL13508841 0.71 CHRM2 (0.42) CASRCHRM2CHRM4CHRM5CHRM1
SCHEMBL350872 0.65 CHRM2 (0.45) CASRCHRM2CHRM4CHRM5CHRM1
SCHEMBL4908372 0.64 CASR (0.50) CASRCHRM2CHRM4CHRM5CHRM1
SCHEMBL29690713 0.63 CASR (0.49) CASRCHRM2CHRM4CHRM5CHRM1
SCHEMBL3675881 0.63 CHRM2 (0.39) CASRCHRM2CHRM4CHRM5CHRM1
SCHEMBL3680339 0.62 ALDH1A1 (0.43) CASRCHRM2CHRM4CHRM5CHRM1
SCHEMBL11427811 0.62 CASR (0.45) CASRCHRM2CHRM4CHRM5CHRM1
SCHEMBL1580585 0.61 CHRM2 (0.47) CASRCHRM2CHRM4CHRM5CHRM1
SCHEMBL3677914 0.61 CHRM2 (0.44) CASRCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
US-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-21 US disclosed
US-7144893-B2 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-05 US disclosed
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-11-04 US disclosed
EP-1404659-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2004-04-07 EP disclosed
WO-2003004479-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-16 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 (2 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-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents TXNRD3, TXNRD1, TXN CASR 4494/4885CHRM2 3005/4885CHRM4 3618/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 CASR 4687/4885CHRM2 4068/4885CHRM4 4457/4885

“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.