SCHEMBL4488945

SCHEMBL4488945

CC(=O)C(=Cc1ccc(Cl)c(Cl)c1)C(=O)NCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
ALOX12 P18054 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2C19 P33261 2/20 0.50
RECQL P46063 2/20 0.50
BLM P54132 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2C9 P11712 1/20 0.50
LMNA P02545 2/20 0.48

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
SCHEMBL4899806 1.00 EGFR (0.50) EGFRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL4889438 0.97 LMNA (0.49) EGFRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL4491589 0.97 LMNA (0.49) EGFRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL4498599 0.92 LMNA (0.57) EGFRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL4891620 0.92 LMNA (0.57) EGFRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL4512772 0.85 ALDH1A1 (0.53) EGFRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL4900705 0.85 ALDH1A1 (0.53) EGFRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL4512306 0.85 APOBEC3A (0.54) EGFRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL4503995 0.85 APOBEC3A (0.54) EGFRALDH1A1KDM4EMEN1CYP1A2
SCHEMBL4517907 0.84 LMNA (0.55) EGFRALDH1A1KDM4EMEN1CYP1A2

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 EGFR 4810/4885ALDH1A1 2263/4885KDM4E 3546/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E EGFR 4838/4885ALDH1A1 840/4885KDM4E 3327/4885

“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.