SCHEMBL4508285

SCHEMBL4508285

CSc1nc(C)c(C(=O)NCCCc2ccccc2)c(-c2c(C)cccc2C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.47
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ USP2 O75604 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL4506700 0.90 TSHR (0.50) SMN1; SMN2HPGDTSHRL3MBTL1TAAR1
SCHEMBL4517405 0.89 SMN1; SMN2 (0.52) SMN1; SMN2HPGDTSHRL3MBTL1TAAR1
SCHEMBL4509724 0.85 CNR1 (0.61) SMN1; SMN2HPGDTSHRL3MBTL1NPC1
SCHEMBL4497600 0.85 TSHR (0.52) SMN1; SMN2HPGDTSHRL3MBTL1TAAR1
SCHEMBL4503508 0.85 L3MBTL1 (0.49) SMN1; SMN2HPGDTSHRL3MBTL1TAAR1
SCHEMBL4509768 0.85 L3MBTL1 (0.49) SMN1; SMN2HPGDTSHRL3MBTL1TAAR1
SCHEMBL4505558 0.85 L3MBTL1 (0.52) SMN1; SMN2HPGDTSHRL3MBTL1TAAR1
SCHEMBL4509391 0.84 SMN1; SMN2 (0.51) SMN1; SMN2HPGDTSHRL3MBTL1TAAR1
SCHEMBL4508621 0.84 NPC1 (0.53) SMN1; SMN2HPGDTSHRL3MBTL1TAAR1
SCHEMBL4501969 0.84 NPC1 (0.55) SMN1; SMN2HPGDTSHRL3MBTL1TAAR1

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 SMN1; SMN2 758/4885HPGD 347/4885TSHR 4176/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E SMN1; SMN2 779/4885HPGD 331/4885TSHR 4449/4885

“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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