SCHEMBL3679890

SCHEMBL3679890

OC1(c2nc3ccccc3s2)CCC2(CCOO2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CASR P41180 1/20 0.40
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
LMNA P02545 4/20 0.35
PRNP P04156 1/20 0.35
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 3/20 0.34
PKM P14618 2/20 0.34
ALOX15 P16050 2/20 0.34
MAPT P10636 3/20 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
SCHEMBL3682909 0.80 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4908372 0.78 CASR (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29690713 0.77 CASR (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3673583 0.76 CASR (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4016618 0.72 OPRL1 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2590119 0.66 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22148423 0.66 NPC1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2565918 0.64 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL350872 0.64 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1580585 0.63 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3

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 CHRM2 3005/4885CHRM4 3618/4885CHRM5 2852/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 CHRM2 4068/4885CHRM4 4457/4885CHRM5 3636/4885

“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.