SCHEMBL981747

SCHEMBL981747

CCOc1ccc(C2=NN(C(=O)Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAOB P27338 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2A P28223 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL984394 0.90 SMN1; SMN2 (0.70) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL982366 0.89 SMN1; SMN2 (0.68) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL980195 0.89 SMN1; SMN2 (0.68) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL982974 0.89 RAB9A (0.58) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL980870 0.88 MAOB (0.53) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL982174 0.85 MAOB (0.51) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL981737 0.83 ME2 (0.51) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL981953 0.82 MEN1 (0.52) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL12922889 0.82 MAOB (0.50) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL980150 0.82 ALDH1A1 (0.76) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB

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 ALDH1A1 399/4885HPGD 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.