SCHEMBL14927108

SCHEMBL14927108

Cc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c2cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 3/20 0.38
▸ ACACB O00763 7/20 0.37
▸ ACACA Q13085 4/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GABRA1 P14867 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
SCHEMBL14927100 0.93 DHODH (0.35) MAPKAPK2ACACBACACACYP1A2CYP3A4
SCHEMBL14927104 0.92 MAPKAPK2 (0.35) MAPKAPK2ACACBACACACYP1A2CYP3A4
SCHEMBL14927113 0.90 MAPKAPK2 (0.35) MAPKAPK2ACACBACACACYP1A2CYP3A4
SCHEMBL12070694 0.89 KDM4E (0.41) MAPKAPK2ACACBACACACYP1A2CYP3A4
SCHEMBL12072754 0.82 KDM4E (0.41) MAPKAPK2ACACB
SCHEMBL14930631 0.81 KDM4E (0.39) MAPKAPK2ACACBACACACYP1A2CYP3A4
SCHEMBL12071571 0.79 KDM4E (0.41) MAPKAPK2ACACBACACACYP1A2CYP3A4
SCHEMBL14927020 0.78 GRIN2D (0.41) —
SCHEMBL14927016 0.73 ASIC1 (0.42) —
SCHEMBL14927107 0.73 MAPT (0.37) ACACAMEN1NPC1RAB9AKMT2A

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 2 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

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 MAPKAPK2 4557/4885ACACB 4873/4885ACACA 4805/4885

“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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