SCHEMBL18005491

SCHEMBL18005491

CC(C)c1ccc(-c2nc(-c3nn[nH]c3C#N)c(C3CC3)o2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.36
ERBB2 P04626 1/20 0.35
HPGD P15428 5/20 0.33
KDM1A O60341 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.33
PRCP P42785 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
KDM4E B2RXH2 6/20 0.32
CETP P11597 1/20 0.32
ALDH1A1 P00352 5/20 0.31
HSD17B10 Q99714 5/20 0.31
RAB9A P51151 4/20 0.31
NPC1 O15118 3/20 0.31
MAPT P10636 3/20 0.31
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 3/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL18005487 0.88 ALDH1A1 (0.39) NOTUMHPGDNPSR1MAPK1PRCP
SCHEMBL18005325 0.88 NPC1 (0.40) HPGDKDM1AMAPK1PRCPKDM4E
SCHEMBL18005215 0.86 NOTUM (0.36) NOTUMHPGDKDM1ANPSR1PRCP
SCHEMBL18005276 0.86 PRCP (0.42) HPGDNPSR1MAPK1PRCPKDM4E
SCHEMBL18005301 0.85 ALOX15 (0.41) NOTUMHPGDNPSR1PRCPKDM4E
SCHEMBL18005300 0.85 ALOX15 (0.34) NOTUMHPGDKDM1AMAPK1KDM4E
SCHEMBL18005326 0.83 CETP (0.36) NOTUMHPGDKDM1ANPSR1PRCP
SCHEMBL18005291 0.82 GRM5 (0.43) PRCPKDM4EALDH1A1RAB9AALOX15
SCHEMBL18005351 0.81 KDM1A (0.33) HPGDKDM1AMAPK1PRCPKDM4E
SCHEMBL18005355 0.81 NOTUM (0.34) NOTUMHPGDMAPK1PRCPKDM4E

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 NOTUM 1379/4885ERBB2 4040/4885HPGD 2152/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NOTUM 1379/4885ERBB2 4040/4885HPGD 2152/4885

“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.