SCHEMBL4302172

SCHEMBL4302172

O=Cc1ccc2ccc(=O)oc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
ALDH1A1 P00352 7/20 0.39
MCL1 Q07820 6/20 0.36
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
LMNA P02545 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
CA1 P00915 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA2 P00918 1/20 0.36
SOST Q9BQB4 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
HSD17B10 Q99714 6/20 0.35
KDM4E B2RXH2 5/20 0.35
GAA P10253 4/20 0.35

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
SCHEMBL3421490 0.66 ALDH1A1 (0.65) CCR1ALDH1A1
SCHEMBL1088335 0.66 CCR1 (1.00) CCR1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1404660 0.65 LMNA (0.47) CCR1ALDH1A1MCL1CA12CA9
Hydrochloric Acid SCHEMBL15228365 0.64 LMNA (0.45) CCR1ALDH1A1MCL1CA12CA9
SCHEMBL9182515 0.61 CA12 (0.38) ALDH1A1MCL1CA12CA9LMNA
SCHEMBL29831737 0.61 MCL1 (0.38) ALDH1A1MCL1CA12CA9LMNA
SCHEMBL13313479 0.61 CCR1 (0.44) CCR1ALDH1A1MCL1CA12CA9
SCHEMBL14361305 0.60 PDE3B (0.41) CCR1ALDH1A1MCL1LMNACYP2A6
SCHEMBL6432195 0.60 CYP2A6 (0.44) CCR1ALDH1A1MCL1TDP1KDM4E
SCHEMBL29557070 0.60 EGFR (0.36) ALDH1A1MCL1CA12CA9LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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 (1 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ CCR1 4609/4885ALDH1A1 3885/4885MCL1 393/4885

“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.