SCHEMBL4512772

SCHEMBL4512772

CC(=O)C(=Cc1cccc(Cl)c1)C(=O)NCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KMT2A Q03164 5/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 4/20 0.53
PLAAT3 P53816 3/20 0.53
PLAAT5 Q96KN8 3/20 0.53
PLAAT2 Q9NWW9 3/20 0.53
PLAAT4 Q9UL19 3/20 0.53
TP53 P04637 2/20 0.53
HTT P42858 2/20 0.53
HPGD P15428 3/20 0.52
NLRP3 Q96P20 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 3/20 0.48
EGFR P00533 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 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
SCHEMBL4900705 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4504434 0.91 LMNA (0.48) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4504437 0.91 LMNA (0.48) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4503675 0.87 RAB9A (0.59) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4503673 0.87 RAB9A (0.59) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4517907 0.87 LMNA (0.55) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4898673 0.87 LMNA (0.55) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4502890 0.86 RAB9A (0.49) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4491589 0.86 LMNA (0.49) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4897631 0.86 RAB9A (0.49) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1

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 ALDH1A1 2263/4885SMN1; SMN2 758/4885KMT2A 4314/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E ALDH1A1 840/4885SMN1; SMN2 779/4885KMT2A 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.