SCHEMBL980700

SCHEMBL980700

COc1ccc(Cl)cc1C1=NN(C(=O)Cc2ccc(O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.44
MET P08581 1/20 0.43
MAOB P27338 1/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
CPT1A P50416 2/20 0.38
CPT1B Q92523 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
SLC9A1 P19634 1/20 0.38

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
SCHEMBL982454 0.86 ME2 (0.44) METMAOBHPGDALDH1A1LMNA
SCHEMBL981648 0.84 MET (0.42) METMAOBHPGDALDH1A1LMNA
SCHEMBL981528 0.83 ALDH1A1 (0.54) MAOBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL981993 0.82 SMN1; SMN2 (0.48) MAOBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL979299 0.82 MAOB (0.65) MAOBHPGDALDH1A1LMNARAB9A
SCHEMBL980061 0.79 KMT2A (0.48) MAOBHPGDALDH1A1LMNARAB9A
SCHEMBL980436 0.79 ALDH1A1 (0.50) MAOBHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL982007 0.79 ME2 (0.51) MAOBHPGDALDH1A1LMNAME2
SCHEMBL3327514 0.78 ALDH1A1 (0.51) MAOBHPGDALDH1A1LMNARAB9A
SCHEMBL3326812 0.78 HTT (0.46) MAOBHPGDALDH1A1LMNASMN1; 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 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 DNMT3A 1589/4885MET 1/4885MAOB 1138/4885

“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.