SCHEMBL12391555

SCHEMBL12391555

CCNC(=O)c1cc(-c2cccnc2)ccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ P2RX7 Q99572 1/20 0.53
▸ MKNK1 Q9BUB5 4/20 0.52
▸ MKNK2 Q9HBH9 4/20 0.52
▸ ABL1 P00519 1/20 0.49
▸ SLC2A1 P11166 1/20 0.49
▸ HCRTR1 O43613 1/20 0.48
▸ HCRTR2 O43614 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ F7 P08709 1/20 0.46
▸ F3 P13726 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ KCNA3 P22001 1/20 0.46

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
SCHEMBL12359372 0.86 HTT (0.53) HTTKMT2AHCRTR1HCRTR2TP53
SCHEMBL12391556 0.85 CYP2A6 (0.48) HTTKMT2AP2RX7MKNK1MKNK2
SCHEMBL12391550 0.85 MKNK1 (0.54) P2RX7MKNK1MKNK2ABL1SLC2A1
SCHEMBL12024786 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL10134750 0.79 HCRTR1 (0.50) HTTKMT2AHCRTR1HCRTR2TP53
SCHEMBL13443055 0.79 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL12024774 0.79 PDE2A (0.49) P2RX7MKNK1MKNK2HCRTR1HCRTR2
SCHEMBL12359373 0.79 POLQ (0.47) HTTKMT2AMKNK1MKNK2HCRTR1
SCHEMBL13498677 0.78 HCRTR2 (0.51) HCRTR1HCRTR2
SCHEMBL13626336 0.78 KMO (0.61) KMT2AMKNK1MKNK2ABL1

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-8399494-B2 2,5-disubstituted phenyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 — — US disclosed
US-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists MERCK & CO., INC. 2011-08-25 — — 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-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists HCRTR2, HCRTR1, CRHR2 HTT 192/4885KMT2A 646/4885P2RX7 296/4885

“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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