SCHEMBL4679239

SCHEMBL4679239

COc1ccccc1C=Nc1cc(-c2ccc(C(F)(F)F)cc2)nn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NFE2L2 Q16236 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
TACR3 P29371 1/20 0.38
MAPT P10636 6/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 3/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL5411282 1.00 KDM4E (0.38) KDM4ESMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL4679253 0.85 RAB9A (0.36) MEN1ALDH1A1KMT2AF2RL3MAPT
SCHEMBL4679257 0.85 RAB9A (0.36) MEN1ALDH1A1KMT2AF2RL3MAPT
SCHEMBL4681607 0.80 MAPT (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL4681613 0.80 MAPT (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL4685195 0.78 ASIC1 (0.47) KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL4685196 0.78 ASIC1 (0.47) KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL14445915 0.73 TOP1 (0.39) SMN1; SMN2MEN1ALDH1A1KMT2AF2RL3
SCHEMBL4744870 0.73 TOP1 (0.39) SMN1; SMN2MEN1ALDH1A1KMT2AF2RL3
SCHEMBL14445900 0.71 MAPT (0.42) KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A

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 KDM4E 3317/4885SMN1; SMN2 3646/4885MEN1 4274/4885

“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.