SCHEMBL18005272

SCHEMBL18005272

N#Cc1[nH]nnc1-c1nc(-c2ccc(OC(F)(F)F)cc2)oc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
TRPA1 O75762 2/20 0.35
SCN9A Q15858 2/20 0.35
FPR2 P25090 1/20 0.35
SCN5A Q14524 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
BACE1 P56817 2/20 0.34
SUCNR1 Q9BXA5 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL18005302 0.89 USP7 (0.42) NPSR1KDM4EHPGDSMN1; SMN2DHODH
SCHEMBL18005326 0.87 CETP (0.36) NOTUMNPSR1KDM1AMAOBHSD17B10
SCHEMBL18005276 0.85 PRCP (0.42) NPSR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL26070446 0.85 NPSR1 (0.44) NOTUMNPSR1FPR2GPR119BCHE
SCHEMBL18005364 0.83 NPSR1 (0.45) NOTUMNPSR1TRPA1SCN9ASCN5A
SCHEMBL18005215 0.83 NOTUM (0.36) NOTUMNPSR1KDM1AHSD17B10KDM4E
SCHEMBL18005325 0.83 NPC1 (0.40) KDM1AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL18005487 0.83 ALDH1A1 (0.39) NOTUMNPSR1HSD17B10KDM4EALDH1A1
SCHEMBL18005287 0.82 KDM4E (0.38) NPSR1TRPA1HSD17B10KDM4EALDH1A1
SCHEMBL18005266 0.82 NOTUM (0.40) NOTUMNPSR1KDM1AMAOBTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1379/4885NPSR1 3939/4885KDM1A 1772/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NOTUM 1379/4885NPSR1 3939/4885KDM1A 1772/4885

“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.