SCHEMBL982228

SCHEMBL982228

COc1ccc(CC(=O)N2CCC(c3ccc(N4CCOCC4)cc3)=N2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 7/20 0.53
GFER P55789 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 2/20 0.49
AKR1C3 P42330 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
CYP2C9 P11712 1/20 0.46
FKBP1A P62942 1/20 0.46
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL980150 0.89 ALDH1A1 (0.76) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL984837 0.88 ALDH1A1 (0.52) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL982608 0.86 POLB (0.52) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL982270 0.86 SMN1; SMN2 (0.52) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL982366 0.84 SMN1; SMN2 (0.68) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL980195 0.84 SMN1; SMN2 (0.68) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL979286 0.83 ALDH1A1 (0.71) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL984394 0.83 SMN1; SMN2 (0.70) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL981227 0.82 ALDH1A1 (0.65) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL981950 0.81 SMN1; SMN2 (0.64) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT

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 5 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
CN-101243048-A 1-acyldihydropyrazol derivatives MERCK PATENT GMBH (DE) 2008-08-13 CN 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 399/4885HPGD 2204/4885RAB9A 2347/4885

“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.