SCHEMBL2249663

SCHEMBL2249663

CCOC(=O)NC(=S)Nc1nccnc1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
ALOX12 P18054 3/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL2253738 0.84 ALDH1A1 (0.42) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL26961993 0.77 MAPT (0.44) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL30675731 0.77 MAPT (0.44) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL23751 0.76 MAPT (0.43) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL2634411 0.75 RAB9A (0.63) MAPTALDH1A1KDM4EPKMRAB9A
SCHEMBL6877174 0.75 ALDH1A1 (0.49) MAPTALDH1A1KDM4EPKMRAB9A
SCHEMBL9416080 0.75 ALOX5 (0.45) ALOX5
SCHEMBL2249665 0.74 ALDH1A1 (0.40) MAPTALDH1A1KDM4EHPGDPKM
SCHEMBL11746859 0.74 MAPT (0.44) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL11746746 0.74 ALDH1A1 (0.54) MAPTALDH1A1KDM4EHPGDRAB9A

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-2531503-A1 GAMMA SECRETASE MODULATERS F. Hoffmann-La Roche AG (CH) 2012-12-12 EP disclosed
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 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-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B MAPT 575/4885ALDH1A1 2136/4885KDM4E 4417/4885

“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.