SCHEMBL981645

SCHEMBL981645

COc1ccc(Cl)cc1C1=NN(C(=O)CC2=CC3=CNSN3C=C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
MET P08581 1/20 0.34
ALDH1A1 P00352 6/20 0.33
HPGD P15428 5/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CPT1A P50416 1/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MPO P05164 1/20 0.31
TPO P07202 1/20 0.31
SLC9A1 P19634 1/20 0.31
TP53 P04637 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
SCHEMBL17004376 0.89 MET (0.41) MET
SCHEMBL981001 0.88 MET (0.34) METALDH1A1HPGDLMNA
SCHEMBL981836 0.87 MAOB (0.43) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981806 0.86 ALDH1A1 (0.40) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980472 0.85 MAOB (0.53) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980252 0.83 PGR (0.39) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL979450 0.82 PGR (0.38) MAOBMETALDH1A1HPGDRAB9A
SCHEMBL979927 0.79 MAOA (0.31) MAOB
SCHEMBL982250 0.78 ALDH1A1 (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2LMNA
SCHEMBL984417 0.78 L3MBTL1 (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E

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 4 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

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 1138/4885MET 1/4885ALDH1A1 399/4885

“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.