SCHEMBL3682467

SCHEMBL3682467

COc1ccc(C(=O)OC2(c3nc4ccccc4s3)C=CC(=O)C=C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
SCD O00767 1/20 0.49
MAPT P10636 7/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.45
PKM P14618 3/20 0.45
GAA P10253 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
TP53 P04637 1/20 0.43
MGAM O43451 1/20 0.43

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
SCHEMBL3680132 0.83 MMP13 (0.49) RAB9ANPC1KMT2AMEN1SCD
SCHEMBL3677571 0.82 CYP1A2 (0.45) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL3739278 0.79 ALDH1A1 (0.42) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3677687 0.73 SMN1; SMN2 (0.40) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3736605 0.71 NPC1 (0.39) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3677914 0.70 CHRM2 (0.44) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL13508831 0.70 ALDH1A1 (0.42) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11007700 0.69 KMT2A (0.66) RAB9ANPC1KMT2AMEN1SCD
SCHEMBL13508851 0.69 MAPT (0.46) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3677081 0.68 SLC6A2 (0.34) RAB9ANPC1KMT2AMAPTALDH1A1

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 RAB9A 1821/4885NPC1 3388/4885KMT2A 2627/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 RAB9A 2699/4885NPC1 2747/4885KMT2A 2168/4885

“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.