SCHEMBL18005446

SCHEMBL18005446

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

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MET P08581 1/20 0.31
KDM1A O60341 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL18005495 0.91 ALOX15 (0.35) MET
SCHEMBL18005360 0.85 KDM4E (0.41) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL18005405 0.83 ESR1 (0.35) ESR1ESR2HDAC6METKDM1A
SCHEMBL18005579 0.83 KDM1A (0.33) ESR1ESR2HDAC6METKDM1A
SCHEMBL18005488 0.82 NOTUM (0.41) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL16399267 0.81 KDM4E (0.34) ESR1ESR2METKDM1AKDM4E
SCHEMBL18005351 0.80 KDM1A (0.33) ESR1ESR2METKDM1AKDM4E
SCHEMBL18005576 0.78 KDM1A (0.32) ESR1ESR2KDM1AKDM4EALDH1A1
SCHEMBL18005334 0.76 ALOX15 (0.37) METKDM4EALDH1A1GAAHPGD
SCHEMBL18005373 0.75 CHKA (0.41) KDM4EALDH1A1HPGDSMN1; SMN2NPSR1

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 ESR1 3520/4885ESR2 3395/4885HDAC6 1149/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ESR1 3520/4885ESR2 3395/4885HDAC6 1149/4885

“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.