SCHEMBL980252

SCHEMBL980252

O=C(CC1=CC2=CNSN2C=C1)N1CCC(c2ccc(Cl)cc2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.39
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HCRTR1 O43613 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL980716 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2HPGDRAB9A
SCHEMBL981269 0.90 ALDH1A1 (0.38) PGRALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL979414 0.90 MAOB (0.39) PGRALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL984417 0.90 L3MBTL1 (0.40) PGRALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL979450 0.89 PGR (0.38) PGRALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL17004410 0.88 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2HPGDRAB9A
SCHEMBL17004376 0.87 MET (0.41) PGR
SCHEMBL981001 0.86 MET (0.34) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL981836 0.85 MAOB (0.43) PGRALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL982250 0.85 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDRAB9ALMNA

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 PGR 1338/4885ALDH1A1 399/4885L3MBTL1 336/4885

“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.