SCHEMBL981605

SCHEMBL981605

N#Cc1ccc(CC(=O)N2CCC(c3ccc(Cl)s3)=N2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.43
PANK3 Q9H999 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
PARP1 P09874 1/20 0.35
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
HTR2C P28335 1/20 0.34
CTBP2 P56545 1/20 0.34
PGR P06401 1/20 0.34
KDM1A O60341 1/20 0.33
MLNR O43193 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL981256 0.86 ALDH1A1 (0.48) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL982599 0.85 MEN1 (0.47) ALDH1A1MEN1MAPTKMT2APANK3
SCHEMBL980088 0.83 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL979042 0.83 ALDH1A1 (0.55) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL981878 0.82 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL981423 0.81 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL979274 0.80 KMT2A (0.45) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL17004382 0.79 ECE2 (0.50) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL982252 0.79 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL983189 0.79 POLB (0.44) ALDH1A1MEN1MAPTKMT2ASMN1; 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 ALDH1A1 399/4885MEN1 221/4885MAPT 4012/4885

“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.