SCHEMBL981308

SCHEMBL981308

COc1cccc(CC(=O)N2CCC(c3cccc([N+](=O)[O-])c3)=N2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MAOB P27338 1/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ORAI1 Q96D31 2/20 0.47
OPRK1 P41145 1/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
ADORA2A P29274 1/20 0.44
KEAP1 Q14145 1/20 0.44

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
SCHEMBL982975 0.89 MAOB (0.60) MAPTMAOBALDH1A1MEN1KMT2A
SCHEMBL17004387 0.87 ORAI1 (0.60) MAPTALDH1A1MEN1KMT2AORAI1
SCHEMBL17004402 0.85 ORAI1 (0.49) MAPTALDH1A1MEN1KMT2AORAI1
SCHEMBL981517 0.84 MEN1 (0.56) MAPTMAOBALDH1A1MEN1KMT2A
SCHEMBL980185 0.84 ALDH1A1 (0.67) MAPTMAOBALDH1A1MEN1KMT2A
SCHEMBL984580 0.84 MAOB (0.58) MAPTMAOBALDH1A1MEN1KMT2A
SCHEMBL983003 0.82 MAPT (0.52) MAPTALDH1A1MEN1KMT2AORAI1
SCHEMBL980757 0.82 MAOB (0.61) MAOBALDH1A1MEN1KMT2AORAI1
SCHEMBL981338 0.82 ALDH1A1 (0.58) MAPTMAOBALDH1A1MEN1KMT2A
SCHEMBL984691 0.82 MAOB (0.49) MAPTMAOBALDH1A1MEN1KMT2A

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
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
CN-101243048-A 1-acyldihydropyrazol derivatives MERCK PATENT GMBH (DE) 2008-08-13 CN 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 4012/4885MAOB 1138/4885ALDH1A1 399/4885

“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.