SCHEMBL979451

SCHEMBL979451

O=C(CN1C=Cc2sncc2C1)N1CCC(c2cccc(Cl)c2)=N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCRTR1 O43613 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KIF11 P52732 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL984418 0.90 L3MBTL1 (0.41) PGRALDH1A1LMNAHCRTR1L3MBTL1
SCHEMBL17004386 0.89 HCRTR1 (0.35) PGRALDH1A1HCRTR1L3MBTL1HPGD
SCHEMBL17004381 0.86 MET (0.38) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL980718 0.85 ALDH1A1 (0.39) ALDH1A1HCRTR1L3MBTL1HPGDRAB9A
SCHEMBL981002 0.85 MAOA (0.33) L3MBTL1
SCHEMBL979415 0.85 MAOB (0.40) PGRALDH1A1HCRTR1L3MBTL1HPGD
SCHEMBL981837 0.83 MAOB (0.44) PGRALDH1A1LMNANPSR1HCRTR1
SCHEMBL981647 0.83 MAOB (0.37) ALDH1A1LMNANPSR1HPGDRAB9A
SCHEMBL982251 0.82 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1HPGDRAB9A
SCHEMBL980473 0.82 MAOB (0.53) ALDH1A1PKMHPGDRAB9ASMN1; 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 3 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

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 399/4885LMNA 4458/4885

“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.