SCHEMBL3568253

SCHEMBL3568253

O=C(O)NCc1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.53
MAOB P27338 1/20 0.49
KCNA5 P22460 1/20 0.46
EPHX2 P34913 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
AKR1A1 P14550 1/20 0.45
AKR1B1 P15121 1/20 0.45
GSK3B P49841 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK8 P45983 1/20 0.43
PPARG P37231 2/20 0.43
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.43
MET P08581 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
SCHEMBL1653822 0.85 MAP2K4 (0.43) P2RX7MAOB
SCHEMBL3562274 0.85 ALDH1A1 (0.48) P2RX7ALDH1A1MAPK8MET
SCHEMBL4511617 0.84 P2RX7 (0.41) P2RX7MAOBAKR1A1AKR1B1ALDH1A1
SCHEMBL5317199 0.84 P2RX7 (0.49) P2RX7MAOBKCNA5EPHX2NR1H4
SCHEMBL5308796 0.84 MAOB (0.48) P2RX7MAOBEPHX2NR1H4
SCHEMBL4338177 0.84 AKR1B1 (0.53) P2RX7EPHX2NR1H4AKR1B1MEN1
SCHEMBL626266 0.84 P2RX7 (0.49) P2RX7MAOBKCNA5EPHX2GSK3B
SCHEMBL5315312 0.84 P2RX7 (0.52) P2RX7MAOBEPHX2NR1H4GSK3B
SCHEMBL23093435 0.82 P2RX7 (0.55) P2RX7AKR1A1AKR1B1KMT2AALDH1A1
SCHEMBL2528192 0.82 P2RX7 (0.39) P2RX7MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673347-B1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP claimed
JP-2007507447-A 2007-03-29 JP claimed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US claimed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP claimed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO claimed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 US claimed
EP-1673347-B1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US disclosed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP disclosed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 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 (2 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-20050075327-A1 Carbamic acid alkyl ester derivatives BCHE, CHRM1, ADCY7 P2RX7 659/4885MAOB 2396/4885KCNA5 767/4885
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP P2RX7 2764/4885MAOB 979/4885KCNA5 2697/4885

“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.