SCHEMBL333926

SCHEMBL333926

Cn1nccc1Oc1ncc(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
APEX1 P27695 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 2/20 0.34
NPBWR1 P48145 2/20 0.33
LIPE Q05469 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNH2 Q12809 2/20 0.33
MAPT P10636 1/20 0.33
PLAU P00749 1/20 0.33
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD1 P21728 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 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
SCHEMBL322097 0.73 PLAU (0.42) KMT2ALMNACYP2C9TSHRAPEX1
SCHEMBL333882 0.73 ALDH1A1 (0.43) CYP2C9SMN1; SMN2ALDH1A1KCNH2MAPT
SCHEMBL332925 0.72 S1PR1 (0.32) KMT2AALDH1A1MAPTHTTS1PR1
SCHEMBL10847985 0.68 MAPK1 (0.71) KMT2ALMNACYP2C9TSHRAPEX1
SCHEMBL8684251 0.68 SMN1; SMN2 (0.57) KMT2ALMNACYP2C9TSHRAPEX1
SCHEMBL25701823 0.67 PLAU (0.40) KMT2ALMNACYP2C9TSHRAPEX1
SCHEMBL30864859 0.67 PLAU (0.40) KMT2ALMNACYP2C9TSHRAPEX1
SCHEMBL1293363 0.66 PLAU (0.39) KMT2ALMNACYP2C9TSHRAPEX1
SCHEMBL18704558 0.65 CNR2 (0.39) KMT2ALMNACYP2C9TSHRAPEX1
SCHEMBL11212994 0.64 SMN1; SMN2 (0.48) KMT2ALMNACYP2C9TSHRAPEX1

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 KMT2A 3974/4885LMNA 914/4885CYP2C9 36/4885

“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.