SCHEMBL18005287

SCHEMBL18005287

N#Cc1[nH]nnc1-c1nc(-c2ccccc2OC(F)(F)F)oc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 1/20 0.37
NR1H4 Q96RI1 14/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
TRPA1 O75762 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL26070447 0.83 S1PR1 (0.37) KDM4EL3MBTL1MAPTS1PR1NR1H4
SCHEMBL18005272 0.82 NOTUM (0.39) KDM4EMAPTTRPA1ALDH1A1GAA
SCHEMBL18005349 0.82 KDM4E (0.41) KDM4EL3MBTL1MAPTALDH1A1LMNA
SCHEMBL18005302 0.81 USP7 (0.42) KDM4ES1PR1HPGDNPSR1
SCHEMBL18005566 0.81 ALOX15 (0.43) KDM4EL3MBTL1MAPTHCRTR1ALDH1A1
SCHEMBL18005396 0.80 TRPA1 (0.34) TRPA1
SCHEMBL18005276 0.77 PRCP (0.42) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL18005409 0.77 CYP11B1 (0.33)
SCHEMBL18005326 0.77 CETP (0.36) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL16399129 0.76 NOTUM (0.40) KDM4EL3MBTL1MAPTALDH1A1LMNA

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 KDM4E 2681/4885L3MBTL1 1503/4885MAPT 2196/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KDM4E 2681/4885L3MBTL1 1503/4885MAPT 2196/4885

“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.