SCHEMBL2253263

SCHEMBL2253263

Cc1ccccc1C(=O)C(C#N)=CN(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HPGD P15428 3/20 0.56
RAB9A P51151 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP2C9 P11712 2/20 0.47
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 3/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL2253260 1.00 ALDH1A1 (0.64) ALDH1A1HPGDRAB9AL3MBTL1CYP2C9
SCHEMBL2253256 1.00 ALDH1A1 (0.64) ALDH1A1HPGDRAB9AL3MBTL1CYP2C9
SCHEMBL2252906 0.83 POLB (0.55) ALDH1A1HPGDRAB9AL3MBTL1CYP2C9
SCHEMBL2252910 0.83 POLB (0.55) ALDH1A1HPGDRAB9AL3MBTL1CYP2C9
SCHEMBL2252176 0.83 ALDH1A1 (0.56) ALDH1A1HPGDRAB9AL3MBTL1CYP2C9
SCHEMBL2252899 0.83 POLB (0.55) ALDH1A1HPGDRAB9AL3MBTL1CYP2C9
SCHEMBL2252182 0.83 ALDH1A1 (0.56) ALDH1A1HPGDRAB9AL3MBTL1CYP2C9
SCHEMBL2252180 0.83 ALDH1A1 (0.56) ALDH1A1HPGDRAB9AL3MBTL1CYP2C9
SCHEMBL2256648 0.81 ALDH1A1 (0.60) ALDH1A1HPGDRAB9AL3MBTL1CYP2C9
SCHEMBL2256653 0.81 ALDH1A1 (0.60) ALDH1A1HPGDRAB9AL3MBTL1CYP2C9

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 ALDH1A1 2136/4885HPGD 181/4885RAB9A 1923/4885

“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.