SCHEMBL3680258

SCHEMBL3680258

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
FSCN1 Q16658 1/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP3 P42574 8/20 0.41
SENP8 Q96LD8 8/20 0.41
SENP7 Q9BQF6 8/20 0.41
SENP6 Q9GZR1 8/20 0.41
PPARA Q07869 1/20 0.40
NFKB1 P19838 1/20 0.40

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) DYRK1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3678850 0.83 RAB9A (0.44) DYRK1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5847955 0.80 CYP1A2 (0.49) DYRK1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3677914 0.80 CHRM2 (0.44) DYRK1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3673860 0.79 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL3673790 0.75 DYRK1A (0.44) DYRK1ANPC1RAB9A
SCHEMBL13508835 0.75 DYRK1A (0.45) DYRK1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29690499 0.72 NPC1 (0.48) DYRK1AFSCN1NPC1RAB9ASMN1; SMN2
SCHEMBL30034871 0.72 NPC1 (0.48) DYRK1AFSCN1NPC1RAB9ASMN1; SMN2
SCHEMBL3679719 0.72 DYRK1A (0.47) DYRK1AMEN1KMT2A

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 DYRK1A 802/4885FSCN1 4405/4885NPC1 3388/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 DYRK1A 1691/4885FSCN1 4263/4885NPC1 2747/4885

“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.