SCHEMBL3673860

SCHEMBL3673860

CS(=O)(=O)c1ccc2nc(C3(O)C=CC(=O)C=C3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ACP1 P24666 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
CLK1 P49759 3/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL3677406 0.79 GFER (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3678850 0.79 RAB9A (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3680258 0.79 DYRK1A (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5847955 0.79 CYP1A2 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3677914 0.76 CHRM2 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13508835 0.74 DYRK1A (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3673790 0.71 DYRK1A (0.44) NPC1RAB9APOLB
SCHEMBL12799099 0.70 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2ACP1
SCHEMBL4584286 0.70 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2ACP1
SCHEMBL1747940 0.69 MEN1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2ACP1

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 ALDH1A1 245/4885NPC1 3388/4885RAB9A 1821/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 ALDH1A1 556/4885NPC1 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.