SCHEMBL980169

SCHEMBL980169

O=C(Cc1cccc(O)c1)N1CCC(c2ccc(F)cc2)=N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PGR P06401 2/20 0.42
HCRTR1 O43613 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ORAI1 Q96D31 1/20 0.39
KCNK3 O14649 1/20 0.37
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
MET P08581 1/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.37
GSK3B P49841 1/20 0.37
MAOA P21397 2/20 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
SCHEMBL980255 0.92 ALDH1A1 (0.46) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981498 0.88 ALDH1A1 (0.48) ALDH1A1HPGDRAB9ASMN1; SMN2PGR
SCHEMBL12922889 0.87 MAOB (0.50) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981737 0.85 ME2 (0.51) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980870 0.85 MAOB (0.53) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17004403 0.84 MET (0.45) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980754 0.81 MAOB (0.61) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5046797 0.80 MAOB (0.40) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL982174 0.80 MAOB (0.51) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981953 0.80 MEN1 (0.52) MAOBALDH1A1HPGDRAB9ASMN1; SMN2

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 10 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
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed
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 disclosed
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 disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed
WO-2007019933-A1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-22 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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 MAOB 1138/4885ALDH1A1 399/4885HPGD 2204/4885

“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.