SCHEMBL4504437

SCHEMBL4504437

CC(=O)C(=Cc1cc(Cl)cc(Cl)c1)C(=O)NCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 2/20 0.47
KDR P35968 1/20 0.47
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
CNR1 P21554 2/20 0.46
POLB P06746 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL4504434 1.00 LMNA (0.48) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL4512772 0.91 ALDH1A1 (0.53) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL4900705 0.91 ALDH1A1 (0.53) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL4517907 0.89 LMNA (0.55) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL4898673 0.89 LMNA (0.55) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL4491589 0.86 LMNA (0.49) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL4889438 0.86 LMNA (0.49) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL4504871 0.85 ALDH1A1 (0.45) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL4899711 0.85 ALDH1A1 (0.45) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL4900690 0.83 LMNA (0.60) LMNAHTTSMN1; SMN2RAB9AALDH1A1

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 3802/4885SMN1; SMN2 758/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E LMNA 4114/4885HTT 3191/4885SMN1; SMN2 779/4885

“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.