SCHEMBL4491339

SCHEMBL4491339

CSc1nc(C)c(C(=O)NCCCc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ HPGD P15428 2/20 0.56
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TSHR P16473 2/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ FAAH O00519 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ASAH1 Q13510 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 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
SCHEMBL4497574 0.90 ALDH1A1 (0.59) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4492831 0.89 ALDH1A1 (0.60) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4505558 0.87 L3MBTL1 (0.52) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4494247 0.85 L3MBTL1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4515788 0.85 L3MBTL1 (0.50) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4505627 0.84 ALDH1A1 (0.54) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4500987 0.84 KMT2A (0.51) ALDH1A1L3MBTL1MAPTTSHRMEN1
SCHEMBL13936914 0.83 L3MBTL1 (0.49) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4503508 0.83 L3MBTL1 (0.49) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4509724 0.82 CNR1 (0.61) ALDH1A1HPGDNPC1RAB9ASMN1; 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 ALDH1A1 2263/4885HPGD 347/4885NPC1 1982/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E ALDH1A1 840/4885HPGD 331/4885NPC1 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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