SCHEMBL980472

SCHEMBL980472

COc1ccc(C2=NN(C(=O)CC3=CC4=CNSN4C=C3)CC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
PDE4B Q07343 13/20 0.39
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
PDE4D Q08499 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL981836 0.92 MAOB (0.43) MAOBALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL981645 0.85 MAOB (0.35) MAOBALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL979917 0.84 PDE4B (0.41) MAOBALDH1A1HPGDSMN1; SMN2PDE4B
SCHEMBL981806 0.84 ALDH1A1 (0.40) MAOBALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL980716 0.84 ALDH1A1 (0.39) MAOBALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL979414 0.83 MAOB (0.39) MAOBALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL980252 0.83 PGR (0.39) MAOBALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL984417 0.83 L3MBTL1 (0.40) ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E
SCHEMBL17004410 0.83 ALDH1A1 (0.39) MAOBALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL979450 0.82 PGR (0.38) MAOBALDH1A1HPGDSMN1; SMN2RAB9A

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 8 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
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
EP-1917248-A1 1-ACYLDIHYDROPYRAZOL DERIVATIVES Merck Patent GmbH (DE) 2008-05-07 EP 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.