SCHEMBL3674220

SCHEMBL3674220

O=C1C=CC(O)(c2nc3ccccc3[nH]2)C=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
ABCB11 O95342 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BTK Q06187 1/20 0.43
PDGFRB P09619 3/20 0.42
FGFR1 P11362 3/20 0.42
KDR P35968 3/20 0.42
AURKA O14965 3/20 0.42
JAK2 O60674 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42

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
SCHEMBL27206202 0.72 ALDH1A1 (0.36) KDM4ENPC1RAB9AALDH1A1ABCB11
SCHEMBL3670209 0.70 DAO (0.45) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL30804216 0.67 ALDH1A1 (0.40) KDM4ENPC1RAB9AALDH1A1ABCB11
SCHEMBL3679701 0.67 MAPT (0.44) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL29290980 0.67 NPC1 (0.56) KDM4ENPC1RAB9AALDH1A1ABCB11
SCHEMBL6753927 0.66 BCHE (0.46) KDM4ENPC1RAB9AALDH1A1ABCB11
SCHEMBL172216 0.65 NPC1 (1.00) KDM4ENPC1RAB9AALDH1A1ABCB11
SCHEMBL30561047 0.65 NPC1 (1.00) KDM4ENPC1RAB9AALDH1A1ABCB11
SCHEMBL30634854 0.65 NPC1 (1.00) KDM4ENPC1RAB9AALDH1A1ABCB11
SCHEMBL6755331 0.65 ALDH1A1 (0.48) KDM4ENPC1RAB9AALDH1A1ABCB11

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 KDM4E 2208/4885NPC1 3388/4885RAB9A 1821/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 KDM4E 1876/4885NPC1 2747/4885RAB9A 2699/4885

“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.