SCHEMBL982313

SCHEMBL982313

N#Cc1ccc(C2=NN(C(=O)Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
PGR P06401 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
NR3C2 P08235 4/20 0.43
NSD2 O96028 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDM1A O60341 1/20 0.41
RORC P51449 2/20 0.40
CNR1 P21554 1/20 0.40
MAPK10 P53779 1/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL980870 0.90 MAOB (0.53) MAOBPGRALDH1A1SMN1; SMN2HPGD
SCHEMBL982227 0.88 NR3C2 (0.46) PGRALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL981640 0.87 PTGDR2 (0.43) ALDH1A1PTGDR2
SCHEMBL981737 0.85 ME2 (0.51) MAOBPGRALDH1A1SMN1; SMN2HPGD
SCHEMBL981950 0.85 SMN1; SMN2 (0.64) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL981953 0.84 MEN1 (0.52) MAOBPGRALDH1A1SMN1; SMN2HPGD
SCHEMBL982174 0.84 MAOB (0.51) MAOBPGRALDH1A1SMN1; SMN2HPGD
SCHEMBL12922889 0.84 MAOB (0.50) MAOBPGRALDH1A1SMN1; SMN2HPGD
SCHEMBL981747 0.82 ALDH1A1 (0.56) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL980195 0.81 SMN1; SMN2 (0.68) MAOBALDH1A1SMN1; SMN2HPGDRAB9A

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 MAOB 1138/4885PGR 1338/4885ALDH1A1 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.