SCHEMBL981950

SCHEMBL981950

COc1ccc(CC(=O)N2CCC(c3ccc(C#N)cc3)=N2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 3/20 0.64
RAB9A P51151 2/20 0.64
HPGD P15428 1/20 0.64
MAOB P27338 3/20 0.51
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
VNN1 O95497 1/20 0.41
SNCA P37840 1/20 0.41

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 0.91 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL982843 0.88 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL981998 0.88 RAB9A (0.54) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL984394 0.87 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL982313 0.85 MAOB (0.45) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL980195 0.85 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL982366 0.85 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL979286 0.85 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL982227 0.85 NR3C2 (0.46) SMN1; SMN2ALDH1A1RAB9AHPGDMAPT
SCHEMBL981227 0.83 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB

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
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed
CN-101243048-A 1-acyldihydropyrazol derivatives MERCK PATENT GMBH (DE) 2008-08-13 CN 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 4245/4885ALDH1A1 399/4885RAB9A 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.