SCHEMBL16945330

SCHEMBL16945330

Cc1cn2c(C(=O)NCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c(C)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.53
PPARA Q07869 13/20 0.52
PPARG P37231 5/20 0.52
PPARD Q03181 5/20 0.52
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
CHRM4 P08173 1/20 0.46
MMP2 P08253 1/20 0.43
CYP3A4 P08684 1/20 0.43
STAT3 P40763 1/20 0.43
MMP13 P45452 1/20 0.43
PTGER4 P35408 1/20 0.43

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
SCHEMBL16945286 0.95 PPARA (0.49) MAPK14PPARAPPARGPPARDHTT
SCHEMBL16949298 0.92 PPARA (0.52) PPARAPPARGPPARDHTTSMN1; SMN2
SCHEMBL16945334 0.92 MAPK14 (0.52) MAPK14PPARAPPARGPPARDMMP13
SCHEMBL16945328 0.89 MAPK14 (0.50) MAPK14PPARAPPARGPPARDHTT
SCHEMBL16945268 0.89 MAPT (0.53) MAPK14PPARAHTTSMN1; SMN2KDM4E
SCHEMBL16945285 0.87 PPARA (0.53) PPARAPPARGPPARDHTTSMN1; SMN2
SCHEMBL15422871 0.87 SMN1; SMN2 (0.50) MAPK14PPARAPPARDHTTSMN1; SMN2
SCHEMBL16945306 0.85 PPARG (0.48) PPARAPPARGPPARDHTTSMN1; SMN2
SCHEMBL16945315 0.85 AHR (0.49) PPARASMN1; SMN2LMNA
SCHEMBL16945290 0.85 CHRM4 (0.51) PPARAPPARGPPARDCHRM4PTGER4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875029-B1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS MORASKI GARRETT (US) 2021-11-10 EP disclosed
US-9605002-B2 5,5-heteroaromatic anti-infective compounds UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 US disclosed
US-9605002-B2 5,5-heteroaromatic anti-infective compounds UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 US disclosed
US-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC 2015-07-30 US disclosed
US-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC 2015-07-30 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 (1 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-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS API5, CASP5, IL5 MAPK14 3090/4885PPARA 386/4885PPARG 264/4885

“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.