SCHEMBL981647

SCHEMBL981647

COc1ccc(Cl)cc1C1=NN(C(=O)CN2C=Cc3sncc3C2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
CPT1A P50416 1/20 0.36
HPGD P15428 3/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 6/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
PTK2 Q05397 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL17004381 0.89 MET (0.38) HPGDNPSR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL981002 0.88 MAOA (0.33) MAOBMET
SCHEMBL981837 0.87 MAOB (0.44) MAOBHPGDMAPTHTTNPSR1
SCHEMBL980473 0.86 MAOB (0.53) MAOBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL981808 0.86 RAB9A (0.42) MAOBHPGDMAPTALDH1A1RAB9A
SCHEMBL979451 0.83 PGR (0.40) HPGDNPSR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL984418 0.78 L3MBTL1 (0.41) HPGDMAPTHTTALDH1A1RAB9A
SCHEMBL982251 0.78 ALDH1A1 (0.40) HPGDMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL980718 0.78 ALDH1A1 (0.39) MAOBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL981036 0.77 ALDH1A1 (0.30) HPGDALDH1A1RAB9ASMN1; 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 3 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

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 1138/4885CPT1A 563/4885HPGD 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.