SCHEMBL18005405

SCHEMBL18005405

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 1/20 0.33
MET P08581 1/20 0.31
KDM1A O60341 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
TRPV3 Q8NET8 2/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
CNR1 P21554 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
SCHEMBL18005255 0.90 MAPK14 (0.36) ESR1ESR2ALOX15KDM4EALDH1A1
SCHEMBL16399478 0.87 KDM4E (0.45) ALOX15KDM4EALDH1A1GAAHPGD
SCHEMBL16399267 0.86 KDM4E (0.34) ESR1ESR2ALOX15KDM4EALDH1A1
SCHEMBL16399661 0.85 KDM4E (0.41) ALOX15KDM4EALDH1A1GAAHPGD
SCHEMBL18005386 0.84 ALOX15 (0.45) ALOX15KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18005446 0.83 ESR1 (0.32) ESR1ESR2KDM4EALDH1A1GAA
SCHEMBL18005486 0.82 KDM5A (0.37) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18005267 0.82 NOTUM (0.42) ALOX15
SCHEMBL18005579 0.81 KDM1A (0.33) ESR1ESR2METKDM1AHDAC6
SCHEMBL18005256 0.81 NOTUM (0.41) KDM4EALDH1A1

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 3395/4885ALOX15 2623/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ESR1 3520/4885ESR2 3395/4885ALOX15 2623/4885

“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.