SCHEMBL3680132

SCHEMBL3680132

O=C1C=CC(OC(=O)c2ccc([N+](=O)[O-])cc2)(c2nc3ccccc3s2)C=C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.49
SCD O00767 1/20 0.49
APP P05067 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MGAM O43451 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL3682467 0.83 RAB9A (0.49) SCDMGAMALDH1A1CYP3A4CYP2D6
SCHEMBL3677571 0.78 CYP1A2 (0.45) ALDH1A1CYP3A4CYP2D6CYP2C19ALOX15
SCHEMBL3739278 0.72 ALDH1A1 (0.42) APPALDH1A1CYP2C19ALOX15MAPT
SCHEMBL3677687 0.69 SMN1; SMN2 (0.40) ALDH1A1CYP2C19MAPTKMT2ANPC1
SCHEMBL13508831 0.68 ALDH1A1 (0.42) ALDH1A1ALOX15MAPTKMT2ANPC1
SCHEMBL3677914 0.68 CHRM2 (0.44) ALDH1A1ALOX15MAPTKMT2ANPC1
SCHEMBL3736605 0.68 NPC1 (0.39) ALDH1A1CYP2C19MAPTKMT2ANPC1
SCHEMBL3677081 0.67 SLC6A2 (0.34) ALDH1A1CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL4919533 0.66 SCD (1.00) MMP13SCDALDH1A1CYP3A4CYP2D6
SCHEMBL2118960 0.66 MMP13 (0.58) MMP13SCDAPPMMP2MMP9

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 MMP13 3800/4885SCD 4246/4885APP 4212/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 MMP13 3926/4885SCD 4223/4885APP 4384/4885

“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.