SCHEMBL16945285

SCHEMBL16945285

Cc1cn2c(C(=O)NCc3ccc(OC(F)(F)F)cc3)c(C)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.53
PPARD Q03181 4/20 0.53
EPHX2 P34913 3/20 0.50
NR1H4 Q96RI1 1/20 0.50
PDE2A O00408 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 1/20 0.49
PTGER4 P35408 1/20 0.46
PPARG P37231 3/20 0.45
HTR2C P28335 1/20 0.44
KLKB1 P03952 1/20 0.44
ADRB2 P07550 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
SCHEMBL16945283 0.90 MAPK14 (0.53) PPARAPPARDPPARG
SCHEMBL16945286 0.87 PPARA (0.49) PPARAPPARDKDM4ELMNAPKM
SCHEMBL16945303 0.87 KDM4E (0.64) PPARAKDM4ELMNAPKMHTT
SCHEMBL16945330 0.87 MAPK14 (0.53) PPARAPPARDKDM4ELMNAPKM
SCHEMBL22137867 0.86 CYP2C9 (0.61) PPARAPPARDEPHX2NR1H4PDE2A
SCHEMBL16945284 0.85 MAPT (0.55) PPARAKDM4ELMNAPKMHTT
SCHEMBL16945268 0.85 MAPT (0.53) PPARAKDM4ELMNAPKMHTT
SCHEMBL16945304 0.85 LMNA (0.51) EPHX2NR1H4KDM4ELMNAPKM
SCHEMBL16949298 0.84 PPARA (0.52) PPARAPPARDKDM4ELMNAPKM
SCHEMBL18656573 0.84 CHRM4 (0.48) PPARAPPARDPDE2AKDM4ELMNA

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 PPARA 386/4885PPARD 591/4885EPHX2 3787/4885

“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.