SCHEMBL18006158

SCHEMBL18006158

Cc1ccccc1-c1ccc(-c2nn[nH]c2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
TRPA1 O75762 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GAA P10253 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL26070565 0.88 LMNA (0.44) ARNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18006025 0.87 HTR7 (0.40) ARTRPA1NPC1RAB9ASMN1; SMN2
SCHEMBL18004145 0.86 ERBB2 (0.40) LMNAALDH1A1HSD17B10LRRK2CHEK1
SCHEMBL18003972 0.83 ERBB2 (0.37) HPGDLRRK2
SCHEMBL18006088 0.82 CYP2A6 (0.42) ARTRPA1NPC1RAB9ASMN1; SMN2
SCHEMBL18006085 0.82 ADORA1 (0.42) TRPA1NPC1RAB9ALMNAGRIA2
SCHEMBL730 0.82 ERBB2 (0.39) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL18006162 0.82 XDH (0.50) ARLMNAGAAGRIA2GRIA4
SCHEMBL17969011 0.81 ERBB2 (0.49) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL18004136 0.81 ADORA1 (0.45) LMNAHPGDALDH1A1HSD17B10LRRK2

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 AR 3449/4885TRPA1 3643/4885NPC1 1062/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 AR 3449/4885TRPA1 3643/4885NPC1 1062/4885

“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.