SCHEMBL4501982

SCHEMBL4501982

Cc1nc(-c2cccs2)nc(-c2cccc(Cl)c2)c1C(=O)NCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ NPC1 O15118 5/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ NLRP3 Q96P20 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
SCHEMBL13936928 0.93 TAAR1 (0.47) L3MBTL1TAAR1NPC1CYP1A2CYP2C9
SCHEMBL4503077 0.89 L3MBTL1 (0.52) L3MBTL1TAAR1NPC1SMN1; SMN2RAB9A
SCHEMBL4502879 0.84 L3MBTL1 (0.53) L3MBTL1TAAR1NPC1SMN1; SMN2RAB9A
SCHEMBL4509189 0.83 EPHX2 (0.51) L3MBTL1TAAR1NPC1SMN1; SMN2RAB9A
SCHEMBL4501310 0.82 L3MBTL1 (0.53) L3MBTL1TAAR1NPC1SMN1; SMN2RAB9A
SCHEMBL4494247 0.82 L3MBTL1 (0.50) L3MBTL1TAAR1NPC1SMN1; SMN2RAB9A
SCHEMBL4507884 0.81 L3MBTL1 (0.49) L3MBTL1TAAR1NPC1SMN1; SMN2RAB9A
SCHEMBL4502696 0.81 L3MBTL1 (0.49) L3MBTL1TAAR1NPC1CYP1A2CYP2C9
SCHEMBL4502943 0.80 L3MBTL1 (0.53) L3MBTL1TAAR1NPC1SMN1; SMN2RAB9A
SCHEMBL4515512 0.79 L3MBTL1 (0.47) L3MBTL1TAAR1NPC1SMN1; SMN2RAB9A

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 5 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-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-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 4045/4885TAAR1 1541/4885NPC1 1982/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E L3MBTL1 4103/4885TAAR1 1491/4885NPC1 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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