SCHEMBL3678850

SCHEMBL3678850

O=C1C=CC(O)(c2nc3ccc(Br)cc3s2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DYRK1A Q13627 1/20 0.44
PPARA Q07869 2/20 0.40
APP P05067 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
CLK1 P49759 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3677406 0.83 GFER (0.45) RAB9ANPC1DYRK1AAPPALDH1A1
SCHEMBL3680258 0.83 DYRK1A (0.44) RAB9ANPC1DYRK1APPARAAPP
SCHEMBL5847955 0.80 CYP1A2 (0.49) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL3677914 0.80 CHRM2 (0.44) RAB9ANPC1CYP1A2DYRK1AALDH1A1
SCHEMBL3673860 0.79 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1MAPTTP53
SCHEMBL3673790 0.75 DYRK1A (0.44) RAB9ANPC1DYRK1A
SCHEMBL13508835 0.75 DYRK1A (0.45) RAB9ANPC1DYRK1AALDH1A1HTT
SCHEMBL2487980 0.74 RAB9A (0.43) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL3679719 0.72 DYRK1A (0.47) DYRK1A
SCHEMBL31385157 0.69 RAB9A (0.47) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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 RAB9A 1821/4885NPC1 3388/4885CYP1A2 325/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 RAB9A 2699/4885NPC1 2747/4885CYP1A2 528/4885

“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.