SCHEMBL2423352

SCHEMBL2423352

COc1ccc(C(O)C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.47
MTOR P42345 3/20 0.47
NNMT P40261 1/20 0.41
NR3C1 P04150 3/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
OGA O60502 2/20 0.38
MEN1 O00255 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CYP2A6 P11509 1/20 0.37
CHRNA7 P36544 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 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
SCHEMBL12383804 0.83 NNMT (0.41) PIK3CAMTORNNMTNR3C1KMT2A
SCHEMBL8848520 0.80 L3MBTL1 (0.53) POLBMAPT
SCHEMBL18228247 0.80 NNMT (0.47) NNMTKMT2AALDH1A1POLBMEN1
SCHEMBL12282137 0.79 NR3C1 (0.38) PIK3CAMTORNNMTNR3C1KMT2A
SCHEMBL1581887 0.78 NNMT (0.46) NNMTNR3C1KMT2AALDH1A1POLB
SCHEMBL30108570 0.78 NNMT (0.46) NNMTNR3C1KMT2AALDH1A1POLB
SCHEMBL28355063 0.78 PIK3CA (0.35) PIK3CAMTORNNMTNR3C1POLB
SCHEMBL12093558 0.77 NNMT (0.44) NNMTKMT2AALDH1A1POLBMEN1
SCHEMBL2421651 0.77 OGA (0.40) PIK3CAMTORKMT2AOGAMEN1
SCHEMBL2424800 0.77 OGA (0.40) PIK3CAMTORKMT2AOGAMEN1

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-2374802-B1 KYNURENINE PRODUCTION INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2014-04-23 EP disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 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-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 PIK3CA 2485/4885MTOR 1286/4885NNMT 41/4885

“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.