SCHEMBL4503673

SCHEMBL4503673

CC(=O)/C(=C/c1cccc(C)c1)C(=O)NCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
LMNA P02545 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 3/20 0.49
KDM4E B2RXH2 3/20 0.49
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
MAPT P10636 3/20 0.47
EGFR P00533 3/20 0.47
HPGD P15428 3/20 0.47
CYP2D6 P10635 2/20 0.47
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
MAPK1 P28482 2/20 0.47
RECQL P46063 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
SCHEMBL4503675 1.00 RAB9A (0.59) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4897631 0.87 RAB9A (0.49) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4512772 0.87 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4502890 0.87 RAB9A (0.49) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4900705 0.87 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4900690 0.87 LMNA (0.60) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4513276 0.87 LMNA (0.60) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4894625 0.86 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4493586 0.86 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4513294 0.85 MTNR1B (0.57) RAB9ANPC1SMN1; SMN2LMNAKMT2A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 RAB9A 1373/4885NPC1 1982/4885SMN1; SMN2 758/4885

“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.