SCHEMBL18006348

SCHEMBL18006348

N#Cc1[nH]nnc1-c1cccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
ADORA1 P30542 1/20 0.41
ALOX5 P09917 1/20 0.41
PSEN1 P49768 1/20 0.41
TP53 P04637 8/20 0.41
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 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
SCHEMBL18006195 0.90 PPARG (0.42) PPARAPPARGADORA1ALOX5PSEN1
SCHEMBL18006346 0.88 PPARA (0.47) PPARAPPARGADORA1TP53LMNA
SCHEMBL18006188 0.84 RHOC (0.43) PPARAPPARGADORA1ALOX5PSEN1
SCHEMBL18006221 0.82 KDM4E (0.40) PPARAPPARGADORA1ALOX5PSEN1
SCHEMBL18006412 0.81 CHEK1 (0.42) PPARAPPARGTP53MAPTSMN1; SMN2
SCHEMBL18004436 0.81 NR4A2 (0.41) PPARGLMNAMAPTKDM4E
SCHEMBL18003993 0.80 NR4A2 (0.50) MAPTHTTPOLB
SCHEMBL18004690 0.79 FFAR1 (0.47)
SCHEMBL18006404 0.78 DAO (0.38) KDM4ESMN1; SMN2
SCHEMBL18004689 0.78 MRGPRX4 (0.47) LMNAMAPTHTTPOLB

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 PPARA 284/4885PPARG 269/4885ADORA1 3010/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PPARA 284/4885PPARG 269/4885ADORA1 3010/4885

“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.