SCHEMBL12071571

SCHEMBL12071571

COc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ PTGDR Q13258 3/20 0.37
▸ MAPKAPK2 P49137 2/20 0.36
▸ RAC1 P63000 4/20 0.36
▸ ACACB O00763 2/20 0.34
▸ DHODH Q02127 2/20 0.33
▸ BRAF P15056 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL14930631 0.98 KDM4E (0.39) KDM4EMAPTALDH1A1CTSLPTGDR
SCHEMBL12072754 0.92 KDM4E (0.41) KDM4EMAPTALDH1A1CTSLMAPKAPK2
SCHEMBL12070694 0.90 KDM4E (0.41) KDM4EMAPTALDH1A1CTSLPTGDR
SCHEMBL14927113 0.89 MAPKAPK2 (0.35) PTGDRMAPKAPK2ACACBCYP1A2CYP3A4
SCHEMBL14927104 0.88 MAPKAPK2 (0.35) PTGDRMAPKAPK2ACACBCYP1A2CYP3A4
SCHEMBL12070704 0.83 KDM4E (0.49) KDM4EMAPTALDH1A1PTGDRRAC1
SCHEMBL12071545 0.82 KDM4E (0.48) KDM4EMAPTALDH1A1PTGDRRAC1
SCHEMBL12070730 0.81 KDM4E (0.40) KDM4EMAPTALDH1A1CTSLPTGDR
SCHEMBL14927100 0.81 DHODH (0.35) MAPKAPK2ACACBDHODHCYP1A2CYP3A4
SCHEMBL12070692 0.81 KDM4E (0.47) KDM4EMAPTALDH1A1PTGDRRAC1

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 KDM4E 2572/4885MAPT 4783/4885ALDH1A1 3341/4885

“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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