SCHEMBL4517907

SCHEMBL4517907

CC(=O)C(=Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
HTT P42858 3/20 0.55
PLAAT3 P53816 3/20 0.54
PLAAT5 Q96KN8 3/20 0.54
PLAAT2 Q9NWW9 3/20 0.54
PLAAT4 Q9UL19 3/20 0.54
CNR1 P21554 2/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CNR2 P34972 1/20 0.51
NLRP3 Q96P20 3/20 0.49
MAPT P10636 3/20 0.49
PKM P14618 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 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
SCHEMBL4898673 1.00 LMNA (0.55) LMNAHTTPLAAT3PLAAT5PLAAT2
SCHEMBL4504434 0.89 LMNA (0.48) LMNAHTTPLAAT3PLAAT5PLAAT2
SCHEMBL4504437 0.89 LMNA (0.48) LMNAHTTPLAAT3PLAAT5PLAAT2
SCHEMBL4513276 0.89 LMNA (0.60) LMNAHTTPLAAT3PLAAT5PLAAT2
SCHEMBL4900690 0.89 LMNA (0.60) LMNAHTTPLAAT3PLAAT5PLAAT2
SCHEMBL4501157 0.88 LMNA (0.63) LMNAHTTCNR1ALDH1A1SMN1; SMN2
SCHEMBL4898656 0.88 LMNA (0.63) LMNAHTTCNR1ALDH1A1SMN1; SMN2
SCHEMBL4900705 0.87 ALDH1A1 (0.53) LMNAHTTPLAAT3PLAAT5PLAAT2
SCHEMBL4491589 0.87 LMNA (0.49) LMNAHTTPLAAT3PLAAT5PLAAT2
SCHEMBL4512772 0.87 ALDH1A1 (0.53) LMNAHTTPLAAT3PLAAT5PLAAT2

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 LMNA 3830/4885HTT 3802/4885PLAAT3 3455/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E LMNA 4114/4885HTT 3191/4885PLAAT3 3462/4885

“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.