SCHEMBL979414

SCHEMBL979414

O=C(CC1=CC2=CNSN2C=C1)N1CCC(c2ccc(F)cc2)=N1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PGR P06401 3/20 0.35
HCRTR1 O43613 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL980716 0.91 ALDH1A1 (0.39) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL979327 0.90 ALDH1A1 (0.32) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980252 0.90 PGR (0.39) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981269 0.90 ALDH1A1 (0.38) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL984417 0.90 L3MBTL1 (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2PGR
SCHEMBL17004385 0.89 SMN1; SMN2 (0.34) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17004410 0.88 ALDH1A1 (0.39) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL984419 0.85 ALDH1A1 (0.36) ALDH1A1HPGDRAB9ASMN1; SMN2NPSR1
SCHEMBL980472 0.83 MAOB (0.53) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL979450 0.83 PGR (0.38) 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 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.