SCHEMBL3083374

SCHEMBL3083374

Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
HTT P42858 2/20 0.46
AR P10275 5/20 0.44
ALDH1A1 P00352 3/20 0.41
VCAM1 P19320 1/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3076224 0.90 MAPT (0.43) LMNAHTTARALDH1A1VCAM1
SCHEMBL3080493 0.87 AR (0.45) LMNAHTTARVCAM1KMT2A
SCHEMBL3085969 0.87 AR (0.45) LMNAHTTARVCAM1KMT2A
SCHEMBL3070012 0.86 AR (0.50) ARALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL3077429 0.86 AR (0.50) ARALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL3076100 0.85 AR (0.46) AR
SCHEMBL3070056 0.85 ALDH1A1 (0.45) HTTARALDH1A1CYP1A2CYP2C19
SCHEMBL3069345 0.85 AR (0.39) LMNAHTTARALDH1A1MAPT
SCHEMBL3081376 0.85 AR (0.49) AR
SCHEMBL3069222 0.85 LMNA (0.41) LMNAHTTARALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 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 (2 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 LMNA 4608/4885HTT 4633/4885AR 1/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 LMNA 4607/4885HTT 4624/4885AR 1/4885

“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.