SCHEMBL3675899

SCHEMBL3675899

O=C1C=CC(O)(c2nc3ccccc3s2)C(Cl)=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CSNK1D P48730 2/20 0.36
CASR P41180 2/20 0.36
DDAH1 O94760 1/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35

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
SCHEMBL3677914 0.79 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13508831 0.73 ALDH1A1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3739278 0.69 ALDH1A1 (0.42) DDAH1RAB9AMEN1NPC1KMT2A
SCHEMBL13508851 0.69 MAPT (0.46) DDAH1RAB9AMEN1NPC1KMT2A
SCHEMBL3677571 0.68 CYP1A2 (0.45) DDAH1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10548809 0.67 CRBN (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3677687 0.67 SMN1; SMN2 (0.40) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL3673583 0.66 CASR (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3680258 0.66 DYRK1A (0.44) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL3736605 0.65 NPC1 (0.39) RAB9AMEN1NPC1KMT2ASMN1; SMN2

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 7 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
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.