SCHEMBL979415

SCHEMBL979415

O=C(CN1C=Cc2sncc2C1)N1CCC(c2ccc(F)cc2)=N1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PGR P06401 2/20 0.37
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
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
NPC1 O15118 1/20 0.31
CASP1 P29466 1/20 0.31
POLB P06746 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL980718 0.91 ALDH1A1 (0.39) MAOBHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL17004386 0.91 HCRTR1 (0.35) MAOBHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL984418 0.90 L3MBTL1 (0.41) HPGDRAB9ASMN1; SMN2ALDH1A1PGR
SCHEMBL980473 0.85 MAOB (0.53) MAOBHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL979451 0.85 PGR (0.40) HPGDRAB9ASMN1; SMN2ALDH1A1PGR
SCHEMBL981837 0.83 MAOB (0.44) MAOBHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL981808 0.77 RAB9A (0.42) MAOBHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL981647 0.77 MAOB (0.37) MAOBHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL980870 0.69 MAOB (0.53) MAOBHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL981541 0.69 PDE4B (0.38) MAOBHPGDALDH1A1

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 MAOB 1138/4885HPGD 2204/4885RAB9A 2347/4885

“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.