SCHEMBL981837

SCHEMBL981837

COc1ccc(C2=NN(C(=O)CN3C=Cc4sncc4C3)CC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
PGR P06401 2/20 0.35
S1PR1 P21453 1/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PDE4B Q07343 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.33
HCRTR1 O43613 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33

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
SCHEMBL980473 0.92 MAOB (0.53) MAOBHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL981647 0.87 MAOB (0.37) MAOBHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL980718 0.84 ALDH1A1 (0.39) MAOBHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL979451 0.83 PGR (0.40) HPGDSMN1; SMN2ALDH1A1RAB9APGR
SCHEMBL981808 0.83 RAB9A (0.42) MAOBHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL979415 0.83 MAOB (0.40) MAOBHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL984418 0.83 L3MBTL1 (0.41) HPGDSMN1; SMN2ALDH1A1RAB9APGR
SCHEMBL17004381 0.81 MET (0.38) HPGDSMN1; SMN2ALDH1A1RAB9APGR
SCHEMBL17004386 0.80 HCRTR1 (0.35) MAOBHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL982251 0.79 ALDH1A1 (0.40) HPGDSMN1; SMN2ALDH1A1RAB9AMAPT

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 1138/4885HPGD 2204/4885SMN1; SMN2 4245/4885

“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.