SCHEMBL14927100

SCHEMBL14927100

Cc1cc2cc(-c3cccc(-c4ccc(C(C)(C)C)cc4)c3)nc(CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.35
▸ MAPKAPK2 P49137 3/20 0.34
▸ F9 P00740 2/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ ACACB O00763 4/20 0.32
▸ ACACA Q13085 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL14927104 0.94 MAPKAPK2 (0.35) MAPKAPK2ACACBACACANR1H4CYP1A2
SCHEMBL14927108 0.93 MAPKAPK2 (0.38) MAPKAPK2ACACBACACANR1H4GABRA1
SCHEMBL14927113 0.92 MAPKAPK2 (0.35) MAPKAPK2ACACBACACANR1H4CYP1A2
SCHEMBL12072754 0.90 KDM4E (0.41) DHODHMAPKAPK2ACACBLMNA
SCHEMBL14930631 0.83 KDM4E (0.39) DHODHMAPKAPK2ACACBACACACYP1A2
SCHEMBL14927016 0.82 ASIC1 (0.42) DHODHF9CNR1
SCHEMBL12070694 0.82 KDM4E (0.41) DHODHMAPKAPK2ACACBACACACYP1A2
SCHEMBL12071571 0.81 KDM4E (0.41) DHODHMAPKAPK2ACACBACACACYP1A2
SCHEMBL14927099 0.78 DHODH (0.39) DHODHCNR1LMNANPSR1PPARA
SCHEMBL14927018 0.75 KIF11 (0.39) DHODH

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 DHODH 1310/4885MAPKAPK2 4557/4885F9 1116/4885

“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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