SCHEMBL18005386

SCHEMBL18005386

CC(C)c1oc(-c2ccc(Cl)c(Cl)c2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
NOTUM Q6P988 4/20 0.40
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KMO O15229 2/20 0.33
MAPK14 Q16539 1/20 0.33
UTRN P46939 1/20 0.32
ERBB2 P04626 1/20 0.32
IKBKB O14920 1/20 0.32
NR3C2 P08235 1/20 0.31

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
SCHEMBL18005255 0.90 MAPK14 (0.36) ALOX15NOTUMALDH1A1KDM4EHSD17B10
SCHEMBL16399661 0.87 KDM4E (0.41) ALOX15NOTUMALDH1A1RAB9AKDM4E
SCHEMBL18005580 0.86 ALOX15 (0.46) ALOX15NOTUMALDH1A1RAB9AKDM4E
SCHEMBL18005405 0.84 ESR1 (0.35) ALOX15ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL18005450 0.84 ALOX15 (0.45) ALOX15NOTUMALDH1A1RAB9AKDM4E
SCHEMBL18005489 0.84 ALOX15 (0.42) ALOX15NOTUMALDH1A1RAB9AKDM4E
SCHEMBL16399478 0.83 KDM4E (0.45) ALOX15NOTUMALDH1A1RAB9AKDM4E
SCHEMBL16399227 0.81 KDM4E (0.47) ALOX15NOTUMALDH1A1RAB9AKDM4E
SCHEMBL18005301 0.81 ALOX15 (0.41) ALOX15NOTUMALDH1A1RAB9AKDM4E
SCHEMBL18005267 0.80 NOTUM (0.42) ALOX15NOTUMUTRN

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 ALOX15 2623/4885NOTUM 1379/4885ALDH1A1 1611/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALOX15 2623/4885NOTUM 1379/4885ALDH1A1 1611/4885

“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.