SCHEMBL4513294

SCHEMBL4513294

COc1cccc(C=C(C(C)=O)C(=O)NCCCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.57
MTNR1A P48039 3/20 0.57
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 6/20 0.52
LMNA P02545 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL4899725 1.00 MTNR1B (0.57) MTNR1BMTNR1AKMT2AMEN1ALDH1A1
SCHEMBL4900512 0.88 ALDH1A1 (0.63) MTNR1BMTNR1AKMT2AMEN1ALDH1A1
SCHEMBL4493878 0.88 ALDH1A1 (0.63) MTNR1BMTNR1AKMT2AMEN1ALDH1A1
SCHEMBL4503675 0.85 RAB9A (0.59) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL4503673 0.85 RAB9A (0.59) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL4512772 0.84 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL4897631 0.84 RAB9A (0.49) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL4502890 0.84 RAB9A (0.49) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL4900705 0.84 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL4495683 0.83 LMNA (0.50) KMT2AMEN1ALDH1A1LMNAKDM4E

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 5 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-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-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives AJINOMOTO CO., INC. (JP) 2004-01-15 US disclosed
EP-1318147-A1 NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-06-11 EP 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 (2 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 MTNR1B 1016/4885MTNR1A 1046/4885KMT2A 4314/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E MTNR1B 1289/4885MTNR1A 1115/4885KMT2A 3758/4885

“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.