SCHEMBL332470

SCHEMBL332470

Cn1nccc1Cc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HTR1D P28221 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HMOX1 P09601 1/20 0.35
ALDH1A1 P00352 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
KCNH2 Q12809 2/20 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
SCHEMBL7078697 0.84 DRD4 (0.43) DRD4DRD3KMT2AL3MBTL1CYP11B1
SCHEMBL16877234 0.81 RAB9A (0.41) DRD4DRD3KMT2AL3MBTL1TAAR1
SCHEMBL7757122 0.81 KDM5A (0.43) KMT2AL3MBTL1CYP19A1ALDH1A1KCNH2
SCHEMBL21000906 0.79 LTA4H (0.47) ALDH1A1
SCHEMBL18420442 0.76 KDM4C (0.47) KMT2AL3MBTL1ALDH1A1APOBEC3G
SCHEMBL332692 0.74 DRD4 (0.44) DRD4DRD3KCNH2
SCHEMBL859845 0.71
SCHEMBL10440332 0.71 KCNH2 (0.43) DRD4DRD3KMT2AALDH1A1APOBEC3G
SCHEMBL7755878 0.71 LTA4H (0.56) CYP19A1HRH3
SCHEMBL25156787 0.69

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 DRD4 3597/4885DRD3 3560/4885HTR1D 957/4885

“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.