SCHEMBL18004692

SCHEMBL18004692

N#Cc1[nH]nnc1-c1cccc(COc2ccccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MRGPRX4 Q96LA9 11/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PDE4A P27815 1/20 0.37

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
SCHEMBL18004693 0.92 MRGPRX4 (0.50) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL18004694 0.89 MRGPRX4 (0.59) SMN1; SMN2NPC1RAB9AHPGDMRGPRX4
SCHEMBL18004700 0.89 MRGPRX4 (0.47) SMN1; SMN2NPC1RAB9AHPGDTP53
SCHEMBL18004695 0.88 MRGPRX4 (0.40) MRGPRX4L3MBTL1CYP11B1CYP11B2
SCHEMBL18006283 0.87 MRGPRX4 (0.45) HPGDMEN1KMT2AMRGPRX4MAPT
SCHEMBL26070864 0.86 MRGPRX4 (0.44) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL18006250 0.86 MRGPRX4 (0.44) SMN1; SMN2NPC1RAB9ATP53MRGPRX4
SCHEMBL18006252 0.86 MRGPRX4 (0.39) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL18006258 0.86 MRGPRX4 (0.44) SMN1; SMN2HPGDMRGPRX4MAPTNPSR1
SCHEMBL18006265 0.85 MRGPRX4 (0.46) SMN1; SMN2NPC1RAB9AHPGDKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 SMN1; SMN2 3834/4885NPC1 1062/4885RAB9A 4775/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SMN1; SMN2 3834/4885NPC1 1062/4885RAB9A 4775/4885

“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.