SCHEMBL332887

SCHEMBL332887

Cc1cc(Br)ccc1-c1ccnn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
COMT P21964 1/20 0.40
CRHR1 P34998 1/20 0.36
CYP1A2 P05177 2/20 0.36
METAP2 P50579 1/20 0.36
SCN9A Q15858 3/20 0.36
AKT1 P31749 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
NT5E P21589 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 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
SCHEMBL16301302 0.82 DRD1 (0.49) DRD1PDE3BPDE3AALDH1A1MAPT
SCHEMBL14189702 0.81 SCN9A (0.42) DRD1PDE3BPDE3AALDH1A1MAPT
SCHEMBL332643 0.81 ALDH1A1 (0.53) DRD1PDE3BPDE3AALDH1A1MAPT
SCHEMBL30381057 0.81 MAPT (0.42) DRD1PDE3BPDE3AALDH1A1MAPT
SCHEMBL2639848 0.79 ALDH1A1 (0.58) DRD1PDE3BPDE3AALDH1A1MAPT
SCHEMBL323525 0.78 MAPT (0.49) ALDH1A1MAPTGABRG2GABRB3GABRA5
SCHEMBL332283 0.78 SCN9A (0.45) ALDH1A1MAPTGABRG2GABRB3GABRA5
SCHEMBL16852249 0.77 LMNA (0.46) DRD1PDE3BPDE3AALDH1A1MAPT
SCHEMBL27924073 0.76 PDE3B (0.47) DRD1PDE3BPDE3AALDH1A1MAPT
SCHEMBL16545859 0.74 FLT1 (0.45) DRD1PDE3BPDE3AALDH1A1MAPT

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 DRD1 3559/4885PDE3B 136/4885PDE3A 192/4885

“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.