SCHEMBL982270

SCHEMBL982270

O=C(Cc1ccccc1)N1CCC(c2ccc(N3CCOCC3)cc2)=N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL982608 0.89 POLB (0.52) SMN1; SMN2MAPTKMT2AMEN1ME2
SCHEMBL982228 0.86 ALDH1A1 (0.61) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL981651 0.85 ALDH1A1 (0.50) SMN1; SMN2MAPTKMT2AALDH1A1HPGD
SCHEMBL984837 0.85 ALDH1A1 (0.52) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL982411 0.83 MAPT (0.55) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL980240 0.82 MAOB (0.53) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL979242 0.82 ALDH1A1 (0.56) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL12922889 0.82 MAOB (0.50) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL981780 0.79 ALDH1A1 (0.48) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL979286 0.79 ALDH1A1 (0.71) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1

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 SMN1; SMN2 4245/4885MAPT 4012/4885KMT2A 174/4885

“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.