SCHEMBL332643

SCHEMBL332643

Cn1nccc1-c1ccc(Br)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
COMT P21964 1/20 0.39
RIPK2 O43353 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
GRM7 Q14831 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CYP11B2 P19099 1/20 0.36
S1PR1 P21453 1/20 0.36
NT5E P21589 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
SCN9A Q15858 3/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
METAP2 P50579 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL9911401 0.85 ALDH1A1 (0.54) ALDH1A1MAPTCOMTRIPK2RIPK3
SCHEMBL332887 0.81 DRD1 (0.47) ALDH1A1MAPTGABRG2GABRB3GABRA5
SCHEMBL14189702 0.80 SCN9A (0.42) ALDH1A1MAPTGABRG2GABRB3GABRA5
Benzene SCHEMBL27840008 0.80 ALDH1A1 (0.60) ALDH1A1MAPTGRM7HTR2AHTR2C
SCHEMBL30381057 0.80 MAPT (0.42) ALDH1A1MAPTGABRG2GABRB3GABRA5
SCHEMBL323525 0.77 MAPT (0.49) ALDH1A1MAPTGABRG2GABRB3GABRA5
SCHEMBL332283 0.76 SCN9A (0.45) ALDH1A1MAPTGABRG2GABRB3GABRA5
SCHEMBL23087900 0.75 ALDH1A1 (0.54) ALDH1A1MAPTCOMTNT5EEGLN2
SCHEMBL29915105 0.75 ALDH1A1 (0.54) ALDH1A1MAPTCOMTNT5EEGLN2
SCHEMBL333882 0.74 ALDH1A1 (0.43) ALDH1A1MAPTGABRG2GABRB3GABRA5

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 2 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
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 ALDH1A1 224/4885MAPT 4364/4885GABRG2 3189/4885

“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.