SCHEMBL979928

SCHEMBL979928

O=C(CN1C=Cc2sncc2C1)N1CCC(c2ccccc2O)=N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.33
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
ALDH1A1 P00352 3/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HCRTR1 O43613 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL984418 0.88 L3MBTL1 (0.41) HPGDALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL981002 0.87 MAOA (0.33) MAOAMAOBL3MBTL1
SCHEMBL980718 0.85 ALDH1A1 (0.39) HPGDMAOBALDH1A1RAB9ASMN1; SMN2
SCHEMBL979415 0.82 MAOB (0.40) HPGDMAOAMAOBALDH1A1RAB9A
SCHEMBL17004381 0.82 MET (0.38) HPGDALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL981647 0.79 MAOB (0.37) HPGDMAOBALDH1A1RAB9ASMN1; SMN2
SCHEMBL981837 0.76 MAOB (0.44) HPGDMAOBALDH1A1RAB9ASMN1; SMN2
SCHEMBL981541 0.64 PDE4B (0.38) HPGDMAOBALDH1A1
SCHEMBL979929 0.63 ECE2 (0.36) HPGDMAOAMAOBALDH1A1RAB9A
Hydrochloric Acid SCHEMBL18334694 0.60 MEN1 (0.38) HPGDMAOAMAOBMAPK1MEN1

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
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

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 HPGD 2204/4885MAOA 1983/4885MAOB 1138/4885

“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.