SCHEMBL18005459

SCHEMBL18005459

N#Cc1[nH]nnc1-c1nc(-c2cccs2)oc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 19/20 0.41
HPGD P15428 18/20 0.41
KDM4E B2RXH2 17/20 0.41
GAA P10253 15/20 0.41
HSD17B10 Q99714 8/20 0.41
GLA P06280 5/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 12/20 0.39
NPSR1 Q6W5P4 5/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 4/20 0.39
MAPK1 P28482 4/20 0.39
HIF1A Q16665 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 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
SCHEMBL18005349 0.78 KDM4E (0.41) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL18005325 0.78 NPC1 (0.40) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL18005276 0.78 PRCP (0.42) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL18005487 0.78 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL18005326 0.77 CETP (0.36) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL18005566 0.77 ALOX15 (0.43) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL16399641 0.77 GRM5 (0.43) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL18005356 0.77 L3MBTL1 (0.40) KDM4EGAANPC1RAB9AL3MBTL1
SCHEMBL18005215 0.76 NOTUM (0.36) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL1249333 0.75 ADORA2A (0.41) ALDH1A1HPGDKDM4ECYP1A2CYP3A4

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 ALDH1A1 1611/4885HPGD 2152/4885KDM4E 2681/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALDH1A1 1611/4885HPGD 2152/4885KDM4E 2681/4885

“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.