SCHEMBL982227

SCHEMBL982227

N#Cc1ccc(C2=NN(C(=O)Cc3ccccc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
PGR P06401 2/20 0.43
RORC P51449 1/20 0.41
HCRTR1 O43613 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM4 P08173 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.39
CYP11B1 P15538 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
SCHEMBL982313 0.88 MAOB (0.45) NR3C2ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL979341 0.87 LMNA (0.44) ALDH1A1HCRTR1LMNACYP11B1CYP11B2
SCHEMBL981651 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL981950 0.85 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HPGDRAB9AMAPT
SCHEMBL981998 0.84 RAB9A (0.54) NR3C2ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL979242 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL980240 0.84 MAOB (0.53) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL12922889 0.84 MAOB (0.50) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL982974 0.81 RAB9A (0.58) ALDH1A1SMN1; SMN2HPGDRAB9AHCRTR1
SCHEMBL979286 0.81 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HPGDRAB9AL3MBTL1

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 NR3C2 2038/4885ALDH1A1 399/4885SMN1; SMN2 4245/4885

“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.