SCHEMBL18004693

SCHEMBL18004693

N#Cc1[nH]nnc1-c1cccc(COc2cccc(Cl)c2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 14/20 0.50
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM2 Q14416 1/20 0.36
MAP2K4 P45985 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL18004692 0.92 SMN1; SMN2 (0.44) MRGPRX4CYP11B1CYP11B2MEN1NPC1
SCHEMBL18004695 0.87 MRGPRX4 (0.40) MRGPRX4CYP11B1CYP11B2MAP2K4CNR1
SCHEMBL18006316 0.86 MRGPRX4 (0.50) MRGPRX4CYP11B1CYP11B2
SCHEMBL18004694 0.86 MRGPRX4 (0.59) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL18004700 0.86 MRGPRX4 (0.47) MRGPRX4CYP11B1CYP11B2NPC1TP53
SCHEMBL18006283 0.84 MRGPRX4 (0.45) MRGPRX4CYP11B1CYP11B2MEN1HPGD
SCHEMBL18004698 0.83 MRGPRX4 (0.41) MRGPRX4CYP11B1CYP11B2MAP2K4CNR1
SCHEMBL18004712 0.83 CYP11B1 (0.38) MRGPRX4CYP11B1CYP11B2
SCHEMBL18006250 0.83 MRGPRX4 (0.44) MRGPRX4NPC1TP53RAB9ASMN1; SMN2
SCHEMBL18006258 0.83 MRGPRX4 (0.44) MRGPRX4CYP11B1CYP11B2HPGDSMN1; 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 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 MRGPRX4 4062/4885CYP11B1 126/4885CYP11B2 227/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MRGPRX4 4062/4885CYP11B1 126/4885CYP11B2 227/4885

“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.