SCHEMBL3677571

SCHEMBL3677571

CC(=O)OC1(c2nc3ccccc3s2)C=CC(=O)C=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 3/20 0.42
ADORA1 P30542 1/20 0.42
DYRK1A Q13627 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3739278 0.84 ALDH1A1 (0.42) CYP1A2CYP2C19ALDH1A1ADORA1DYRK1A
SCHEMBL3682467 0.82 RAB9A (0.49) CYP1A2CYP2C19ALDH1A1GAAMAPT
SCHEMBL3677687 0.81 SMN1; SMN2 (0.40) CYP1A2CYP2C19ALDH1A1GAAMAPT
SCHEMBL3736605 0.79 NPC1 (0.39) CYP1A2CYP2C19ALDH1A1GAAMAPT
SCHEMBL13508851 0.78 MAPT (0.46) CYP1A2CYP2C19ALDH1A1ADORA1DYRK1A
SCHEMBL3680132 0.78 MMP13 (0.49) CYP1A2CYP2C19ALDH1A1GAAMAPT
SCHEMBL3677914 0.76 CHRM2 (0.44) CYP1A2ALDH1A1ADORA1DYRK1AGAA
SCHEMBL13508831 0.76 ALDH1A1 (0.42) CYP1A2ALDH1A1ADORA1DYRK1AGAA
SCHEMBL3677081 0.75 SLC6A2 (0.34) CYP1A2CYP2C19ALDH1A1MAPTALOX15
SCHEMBL3738879 0.71 GAA (0.37) ALDH1A1GAAMAPTTSHRRAB9A

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 CYP1A2 325/4885CYP2C19 704/4885ALDH1A1 245/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 CYP1A2 528/4885CYP2C19 1176/4885ALDH1A1 556/4885

“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.