SCHEMBL980170

SCHEMBL980170

O=C(Cc1cccs1)N1CCC(c2cccc([N+](=O)[O-])c2)=N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 3/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CFTR P13569 1/20 0.43
ORAI1 Q96D31 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
OPRK1 P41145 1/20 0.42
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BCHE P06276 1/20 0.39

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
SCHEMBL982365 0.83 KDM4E (0.55) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL17004387 0.83 ORAI1 (0.60) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL983003 0.80 MAPT (0.52) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL982034 0.79 ALDH1A1 (0.50) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL980554 0.78 HPGD (0.48) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL17004402 0.78 ORAI1 (0.49) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL981308 0.77 MAPT (0.49) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL981784 0.77 ALDH1A1 (0.49) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL982617 0.77 ALDH1A1 (0.53) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL981499 0.74 ALDH1A1 (0.45) KMT2AALDH1A1MEN1POLBMAPT

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 KMT2A 174/4885ALDH1A1 399/4885MEN1 221/4885

“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.