SCHEMBL4502879

SCHEMBL4502879

Cc1nc(C)c(C(=O)NCCCc2ccccc2)c(-c2cccc(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ TSHR P16473 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ MAPT P10636 5/20 0.48
▸ TP53 P04637 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HIF1A Q16665 1/20 0.44

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
SCHEMBL4504091 0.92 TSHR (0.52) L3MBTL1TSHRTAAR1MAPTALDH1A1
SCHEMBL4503077 0.91 L3MBTL1 (0.52) L3MBTL1TSHRTAAR1MAPTTP53
SCHEMBL4506494 0.90 L3MBTL1 (0.54) L3MBTL1TSHRTAAR1SMN1; SMN2MEN1
SCHEMBL4494247 0.89 L3MBTL1 (0.50) L3MBTL1TSHRTAAR1MAPTTP53
SCHEMBL4502696 0.88 L3MBTL1 (0.49) L3MBTL1TSHRTAAR1MAPTTP53
SCHEMBL4507884 0.88 L3MBTL1 (0.49) L3MBTL1TSHRTAAR1MAPTTP53
SCHEMBL4515318 0.88 NPC1 (0.50) L3MBTL1TSHRTAAR1SMN1; SMN2KMT2A
SCHEMBL4493936 0.88 L3MBTL1 (0.53) L3MBTL1TSHRTAAR1ALDH1A1SMN1; SMN2
SCHEMBL4498922 0.87 TAAR1 (0.49) L3MBTL1TSHRTAAR1MAPTTP53
SCHEMBL4502446 0.86 TP53 (0.52) L3MBTL1TSHRMAPTTP53MEN1

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 L3MBTL1 4045/4885TSHR 4176/4885TAAR1 1541/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E L3MBTL1 4103/4885TSHR 4449/4885TAAR1 1491/4885

“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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