SCHEMBL980302

SCHEMBL980302

O=C(CC1=CC2=CNSN2C=C1)N1CCC(c2ccc3oc4ccccc4c3c2)=N1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
MAOB P27338 1/20 0.31
HCRTR1 O43613 1/20 0.31
CHEK2 O96017 1/20 0.31

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
SCHEMBL980307 0.72 EDNRB (0.39) SMN1; SMN2ALDH1A1HPGDRAB9AMAOB
SCHEMBL15835950 0.56 MAPT (0.63) SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL15835969 0.56 MAPT (0.63) SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL2039941 0.56 MAPT (0.63) SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL10478418 0.56 MAPT (0.63) SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL23085112 0.55 CYP1A2 (0.55) SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL26311700 0.55 MAPT (0.61) SMN1; SMN2ALDH1A1HPGDRAB9ACHEK2
SCHEMBL20706697 0.55 MAPT (0.61) SMN1; SMN2ALDH1A1HPGDRAB9ACHEK2
SCHEMBL24171975 0.55 MAPT (0.61) SMN1; SMN2ALDH1A1HPGDRAB9ACHEK2
SCHEMBL15501770 0.54 MAPT (0.55) SMN1; SMN2ALDH1A1HPGDRAB9ACHEK2

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 4245/4885ALDH1A1 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.