SCHEMBL984580

SCHEMBL984580

COc1cccc(C2=NN(C(=O)Cc3ccccc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
ALDH1A1 P00352 5/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.47
ORAI1 Q96D31 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
LMNA P02545 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HCRTR1 O43613 1/20 0.45
KMT2A Q03164 2/20 0.45
PAX8 Q06710 1/20 0.45
WNK1 Q9H4A3 1/20 0.45
USP2 O75604 1/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL982975 0.94 MAOB (0.60) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980235 0.93 ALDH1A1 (0.60) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980144 0.90 MAOB (0.55) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL979286 0.87 ALDH1A1 (0.71) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981517 0.87 MEN1 (0.56) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980185 0.86 ALDH1A1 (0.67) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980757 0.85 MAOB (0.61) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981338 0.84 ALDH1A1 (0.58) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL984691 0.84 MAOB (0.49) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL979373 0.84 MAOB (0.67) MAOBALDH1A1HPGDRAB9ASMN1; 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 MAOB 1138/4885ALDH1A1 399/4885HPGD 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.