SCHEMBL2201157

SCHEMBL2201157

CCOC(=O)c1c(C(=O)N2Cc3ccccc3C2=O)n[nH]c1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.38
GAA P10253 1/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA1 P14867 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
CDK5 Q00535 1/20 0.36

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
SCHEMBL2201154 0.75 GAA (0.44) KMT2AMEN1POLBSMN1; SMN2HTT
SCHEMBL2200865 0.73 SCN9A (0.42) KMT2AMEN1KDM4EALDH1A1THRB
SCHEMBL2201791 0.69 PDE4D (0.63) KMT2AMEN1POLBSMN1; SMN2KDM4E
SCHEMBL1206179 0.67 MEN1 (0.52) KMT2AMEN1POLBSMN1; SMN2KDM4E
SCHEMBL15056281 0.66 KDM4E (0.46) KMT2AMEN1POLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL15056842 0.65 KDM4E (0.44) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL5606080 0.65 KDM4E (0.43) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL2200905 0.65 CDK5 (0.46) KMT2ASMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL9277396 0.64 L3MBTL1 (0.53) KMT2AMEN1POLBSMN1; SMN2KDM4E
SCHEMBL24906430 0.64 KDM4E (0.43) KMT2AMEN1POLBSMN1; SMN2KDM4E

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-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 KMT2A 4057/4885MEN1 4450/4885POLB 4350/4885

“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.