SCHEMBL4239332

SCHEMBL4239332

Cc1nn(-c2ccc(C#N)cc2)c(C)c1COc1ccc(CC(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.53
SLC34A1 Q06495 2/20 0.47
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL4302858 0.87 AR (0.52) ARSLC34A1RAB9AALDH1A1
SCHEMBL4233150 0.87 AR (0.60) ARSLC34A1RAB9AALDH1A1LMNA
SCHEMBL4230968 0.86 AR (0.64) AR
SCHEMBL4237759 0.85 AR (0.56) ARSLC34A1RAB9AALDH1A1LMNA
SCHEMBL4234713 0.84 MAPT (0.54) ARSLC34A1RAB9AALDH1A1LMNA
SCHEMBL4239003 0.81 AR (0.54) ARSLC34A1RAB9AALDH1A1LMNA
SCHEMBL4233511 0.81 AR (0.70) ARSLC34A1
SCHEMBL4232172 0.81 AR (0.54) ARSLC34A1ALDH1A1HTTNPSR1
SCHEMBL4237455 0.79 AR (0.52) ARSLC34A1RAB9AALDH1A1GAA
SCHEMBL4236887 0.79 MAPT (0.49) ARSLC34A1RAB9AALDH1A1LMNA

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 5 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
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
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 AR 622/4885SLC34A1 1375/4885RAB9A 3098/4885

“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.