SCHEMBL4230013

SCHEMBL4230013

Cc1nn(-c2ccc(C#N)cc2)c(C)c1COc1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
AR P10275 1/20 0.45
PDE4B Q07343 2/20 0.44
PDE4D Q08499 2/20 0.44
CHEK2 O96017 1/20 0.43
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC34A1 Q06495 1/20 0.42
GRM5 P41594 1/20 0.41
MAOB P27338 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4236887 0.89 MAPT (0.49) ARCHEK2MAPTPKMLMNA
SCHEMBL4296468 0.86 AR (0.51) PTGS2ARPDE4BPDE4D
SCHEMBL4233150 0.82 AR (0.60) ARMAPTLMNARAB9ASLC34A1
SCHEMBL4234584 0.81 AR (0.47) ARSLC34A1ALOX15HSD17B10
SCHEMBL4237455 0.79 AR (0.52) ARRAB9ASLC34A1MAOBSMN1; SMN2
SCHEMBL4237759 0.79 AR (0.56) ARMAPTLMNARAB9ASLC34A1
SCHEMBL4305348 0.78 PTGS1 (0.48) PTGS2ARMAPTLMNASLC34A1
SCHEMBL4230109 0.77 AR (0.56) ARSLC34A1
SCHEMBL4232212 0.77 AR (0.50) ARCHRNB2CHRNA4SLC34A1CYP19A1
SCHEMBL4241563 0.77 AR (0.52) ARSLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 PTGS2 1787/4885AR 622/4885PDE4B 3327/4885

“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.