SCHEMBL13936848

SCHEMBL13936848

CSc1nc(C)c(C(=O)NC/C=C/c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CACNA1B Q00975 1/20 0.39
▸ PPARG P37231 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ RXFP1 Q9HBX9 3/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL4509701 0.89 CACNA1B (0.47) LMNAALDH1A1KMT2APOLBMAPT
SCHEMBL4509699 0.89 CACNA1B (0.47) LMNAALDH1A1KMT2APOLBMAPT
SCHEMBL13936850 0.89 CACNA1B (0.42) LMNAALDH1A1KMT2APOLBMAPT
SCHEMBL4502648 0.82 TAAR1 (0.51) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL4491438 0.81 L3MBTL1 (0.48) KMT2APOLBKDM4EPPARGTSHR
SCHEMBL4502508 0.80 RXFP1 (0.38) LMNAALDH1A1KMT2APOLBMAPT
SCHEMBL4502512 0.80 RXFP1 (0.38) LMNAALDH1A1KMT2APOLBMAPT
SCHEMBL4510156 0.80 TAAR1 (0.47) ALDH1A1KMT2APOLBKDM4EPPARG
SCHEMBL4513458 0.80 SMN1; SMN2 (0.44) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL4502689 0.77 CACNA1B (0.50) LMNAALDH1A1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — 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-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES P2RY10, CACNA1B, CACNA1E LMNA 3830/4885ALDH1A1 2263/4885KMT2A 4314/4885

“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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