SCHEMBL332532

SCHEMBL332532

Cn1nccc1-c1cc[c]cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
COMT P21964 1/20 0.39
CYP1A2 P05177 2/20 0.35
METAP2 P50579 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
AKT1 P31749 2/20 0.32
AKT2 P31751 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
ADRA1A P35348 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL2274673 0.75 EGLN2 (0.44) ALDH1A1MAPTCOMTCYP1A2METAP2
SCHEMBL3487966 0.72 KDM4A (0.48) ALDH1A1MAPTCOMTCYP1A2METAP2
SCHEMBL14879506 0.71 RAB9A (0.40) ALDH1A1KDM4ENPC1RAB9ASCN9A
SCHEMBL2886283 0.71
SCHEMBL240197 0.71 CYP1A2 (0.49) ALDH1A1MAPTCOMTCYP1A2CYP3A4
SCHEMBL14189702 0.70 SCN9A (0.42) ALDH1A1MAPTCOMTCYP1A2METAP2
SCHEMBL31148268 0.70 ALDH1A1 (0.42) ALDH1A1MAPTCOMTCYP1A2METAP2
SCHEMBL61313 0.69 COMT (0.44) ALDH1A1MAPTCOMTCYP1A2CYP3A4
SCHEMBL15950989 0.69 COMT (0.60) ALDH1A1MAPTCOMTCYP1A2METAP2
SCHEMBL24121201 0.68 ALDH1A1 (0.43) ALDH1A1MAPTCOMTCYP1A2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 ALDH1A1 224/4885MAPT 4364/4885COMT 1153/4885

“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.