SCHEMBL3924092

SCHEMBL3924092

COC(C#N)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.46
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ACP3 P15309 1/20 0.37
PDE1B Q01064 1/20 0.36
HSD17B2 P37059 1/20 0.36
MEN1 O00255 1/20 0.34
S1PR2 O95136 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL11080040 0.81 HPGD (0.41) AOC3GAAALDH1A1HPGDMAPT
SCHEMBL3830094 0.81 GAA (0.39) AOC3GAAALDH1A1HPGDMAPT
SCHEMBL25831756 0.81 GAA (0.39) AOC3GAAALDH1A1HPGDMAPT
SCHEMBL5479093 0.80 AOC3 (0.45) AOC3GAAALDH1A1ACP3L3MBTL1
SCHEMBL4171697 0.79 IDO1 (0.41) ALDH1A1SLC6A2SLC6A4L3MBTL1
SCHEMBL12742279 0.79 ESR1 (0.53) GAAALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL29066017 0.79 AOC3 (0.46) AOC3ALDH1A1CYP3A4KMT2AL3MBTL1
SCHEMBL11578008 0.78 GAA (0.39) AOC3GAAALDH1A1HPGDMAPT
SCHEMBL10566638 0.78 GAA (0.45) AOC3GAAALDH1A1HPGDMAPT
SCHEMBL198464 0.77 TSHR (0.46) GAAALDH1A1TSHRCYP3A4MEN1

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-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 EP disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP disclosed
US-20050222128-A1 Compounds for the treatment of diseases PFIZER INC 2005-10-06 US disclosed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO 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-20050222128-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, CYP11B2 AOC3 1157/4885GAA 57/4885ALDH1A1 128/4885

“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.