SCHEMBL979547

SCHEMBL979547

COc1cccc(CC(=O)N2CCC(c3ccc4c(c3)OCO4)=N2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EDNRB P24530 2/20 0.48
LMNA P02545 1/20 0.47
MAOB P27338 1/20 0.47
SCD5 Q86SK9 1/20 0.47
MCHR1 Q99705 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
EDNRA P25101 1/20 0.46
GAA P10253 1/20 0.45
FPR1 P21462 1/20 0.45
FPR2 P25090 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ORAI1 Q96D31 1/20 0.44

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
SCHEMBL981735 0.89 ALDH1A1 (0.58) RAB9AALDH1A1HPGDSMN1; SMN2EDNRB
SCHEMBL982975 0.88 MAOB (0.60) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL980185 0.87 ALDH1A1 (0.67) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL982358 0.85 ALOX15 (0.47) RAB9AALDH1A1HPGDSMN1; SMN2EDNRB
SCHEMBL980757 0.85 MAOB (0.61) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL981338 0.85 ALDH1A1 (0.58) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL981591 0.84 ALDH1A1 (0.57) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL981926 0.84 ALDH1A1 (0.57) RAB9AALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL981517 0.83 MEN1 (0.56) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL984580 0.82 MAOB (0.58) RAB9AALDH1A1HPGDSMN1; SMN2LMNA

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 RAB9A 2347/4885ALDH1A1 399/4885HPGD 2204/4885

“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.