SCHEMBL12070517

SCHEMBL12070517

COc1cc2cc(-c3cccc(-c4ccccc4)c3C)nc(N(C)C)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PDCD1 Q15116 4/20 0.43
▸ CD274 Q9NZQ7 4/20 0.43
▸ RAC1 P63000 2/20 0.43
▸ GAA P10253 3/20 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
SCHEMBL12070673 0.83 RAC1 (0.49) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL12072698 0.81 SMN1; SMN2 (0.48) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL14926984 0.81 PDCD1 (0.47) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL12072675 0.78 PDE10A (0.43) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL16510758 0.77 KDM4E (0.45) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL12074884 0.77 PDGFRB (0.45) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL12072037 0.76 SMN1; SMN2 (0.45) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL16383319 0.75 ACACA (0.38) HSD17B10ALDH1A1LMNAACACAPDCD1
SCHEMBL14926987 0.72 USP2 (0.40) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL12074044 0.71 PDGFRB (0.72) ALDH1A1GAASMN1; SMN2MAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 — — WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — 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 (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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 USP2 4630/4885CYP1A2 2201/4885CYP3A4 2285/4885

“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.

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