SCHEMBL4492085

SCHEMBL4492085

Cc1nc(-c2ccccc2)nc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.53
▸ TEAD2 Q15562 1/20 0.52
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ EIF4E P06730 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ PLAAT3 P53816 1/20 0.43
▸ PLAAT5 Q96KN8 1/20 0.43
▸ PLAAT2 Q9NWW9 1/20 0.43
▸ PLAAT4 Q9UL19 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL4502805 0.93 L3MBTL1 (0.48) TAAR1TEAD2NPC1RAB9ASMN1; SMN2
SCHEMBL4505104 0.92 PTGFR (0.49) TAAR1TEAD2NPC1RAB9ASMN1; SMN2
SCHEMBL4498607 0.90 TAAR1 (0.55) TAAR1TEAD2NPC1RAB9ASMN1; SMN2
SCHEMBL4504537 0.86 EPHX2 (0.50) TAAR1NPC1RAB9AEIF4ERXFP1
SCHEMBL4502648 0.86 TAAR1 (0.51) TAAR1TEAD2NPC1RAB9ASMN1; SMN2
SCHEMBL4506315 0.86 PTAFR (0.52) TAAR1EIF4ERXFP1
SCHEMBL4515318 0.84 NPC1 (0.50) TAAR1TEAD2NPC1RAB9ASMN1; SMN2
SCHEMBL4498922 0.83 TAAR1 (0.49) TAAR1TEAD2NPC1RAB9ASMN1; SMN2
SCHEMBL4503077 0.83 L3MBTL1 (0.52) TAAR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4498929 0.83 NPC1 (0.49) TAAR1TEAD2NPC1RAB9ASMN1; SMN2

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 11 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-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
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-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — 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-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — 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 TAAR1 1541/4885TEAD2 1390/4885NPC1 1982/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E TAAR1 1491/4885TEAD2 1752/4885NPC1 1318/4885

“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.

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