SCHEMBL4503621

SCHEMBL4503621

CSc1nc(C)c(NC(=O)CCCc2ccccc2)c(-c2cccc(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ ADORA1 P30542 3/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ NPY5R Q15761 1/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PLAAT3 P53816 1/20 0.41
▸ PLAAT5 Q96KN8 1/20 0.41
▸ PLAAT2 Q9NWW9 1/20 0.41
▸ PLAAT4 Q9UL19 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL4502999 0.95 HCAR2 (0.47) RAB9AADORA1ADORA3SMN1; SMN2HCAR2
SCHEMBL4494247 0.79 L3MBTL1 (0.50) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL4511334 0.77 ADORA3 (0.49) ADORA3
SCHEMBL14403955 0.75 TP53 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4504538 0.73 ALDH1A1 (0.47) ADORA1ADORA3MEN1KMT2ARXFP1
SCHEMBL4509768 0.71 L3MBTL1 (0.49) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL4517048 0.70 KDM4E (0.51) ADORA1MEN1KMT2ALMNAADORA2B
SCHEMBL4514195 0.70 ADORA3 (0.48) ADORA3
SCHEMBL4515441 0.69 ADORA3 (0.53) NPC1RAB9AADORA3SMN1; SMN2LMNA
SCHEMBL4505558 0.69 L3MBTL1 (0.52) NPC1RAB9APOLBSMN1; SMN2MEN1

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 NPC1 1982/4885RAB9A 1373/4885POLB 3158/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E NPC1 1318/4885RAB9A 1765/4885POLB 3312/4885

“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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