SCHEMBL4685196

SCHEMBL4685196

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1N=Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC1 P78348 3/20 0.47
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
HDAC1 Q13547 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
SCHEMBL4685195 1.00 ASIC1 (0.47) ASIC1MEN1MAPTKMT2AALDH1A1
SCHEMBL4681607 0.87 MAPT (0.40) ASIC1MAPTALDH1A1NPC1NFKB1
SCHEMBL4681613 0.87 MAPT (0.40) ASIC1MAPTALDH1A1NPC1NFKB1
SCHEMBL4744870 0.82 TOP1 (0.39) ASIC1MEN1MAPTKMT2AALDH1A1
SCHEMBL14445915 0.82 TOP1 (0.39) ASIC1MEN1MAPTKMT2AALDH1A1
SCHEMBL4679257 0.81 RAB9A (0.36) ASIC1MEN1MAPTKMT2AALDH1A1
SCHEMBL4679253 0.81 RAB9A (0.36) ASIC1MEN1MAPTKMT2AALDH1A1
SCHEMBL5411282 0.78 KDM4E (0.38) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL4679239 0.78 KDM4E (0.38) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL14445913 0.73 FBP1 (0.45) MAPT

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
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 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-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA ASIC1 1077/4885MEN1 4274/4885MAPT 4374/4885

“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.