SCHEMBL983003

SCHEMBL983003

O=C(Cc1ccc(F)cc1)N1CCC(c2cccc([N+](=O)[O-])c2)=N1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ORAI1 Q96D31 1/20 0.52
PGR P06401 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GAA P10253 1/20 0.42
NPY5R Q15761 1/20 0.41
SLC6A4 P31645 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL17004387 0.90 ORAI1 (0.60) MAPTORAI1KMT2AMEN1ALDH1A1
SCHEMBL17004402 0.89 ORAI1 (0.49) MAPTORAI1PGRKMT2AMEN1
SCHEMBL981308 0.82 MAPT (0.49) MAPTORAI1KMT2AMEN1POLB
SCHEMBL980870 0.81 MAOB (0.53) MAPTPGRKMT2AMEN1POLB
SCHEMBL980170 0.80 KMT2A (0.56) MAPTORAI1KMT2AMEN1POLB
SCHEMBL981640 0.80 PTGDR2 (0.43) ALDH1A1NPY5R
SCHEMBL980144 0.80 MAOB (0.55) ORAI1KMT2AMEN1POLBALDH1A1
SCHEMBL12922889 0.77 MAOB (0.50) MAPTPGRPOLBALDH1A1LMNA
SCHEMBL981737 0.76 ME2 (0.51) MAPTPGRKMT2AMEN1POLB
SCHEMBL982174 0.75 MAOB (0.51) PGRKMT2AMEN1POLBALDH1A1

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
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP 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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 MAPT 4012/4885ORAI1 4824/4885PGR 1338/4885

“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.