SCHEMBL5124328

SCHEMBL5124328

COc1ccc(CNc2nc(-c3ccncc3)nc3sc([N+](=O)[O-])cc23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PRKCI P41743 5/20 0.42
APP P05067 2/20 0.42
PDE5A O76074 1/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
ATM Q13315 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL5130702 0.92 PDE5A (0.49) MEN1KMT2APRKCIPDE5A
SCHEMBL5124282 0.90 MEN1 (0.51) MEN1KMT2APDE5AATMALDH1A1
SCHEMBL8180899 0.89 MEN1 (0.52) MEN1KMT2AAPPPDE5AATM
SCHEMBL8185388 0.89 MEN1 (0.49) MEN1KMT2AAPPPDE5ATNF
SCHEMBL5129346 0.86 MEN1 (0.42) MEN1KMT2AAPPTNFNOD1
SCHEMBL5118536 0.85 MEN1 (0.43) MEN1KMT2AAPPPDE5ATNF
SCHEMBL5121441 0.85 MEN1 (0.47) MEN1KMT2AAPPPDE5ATNF
SCHEMBL5128760 0.85 PDE5A (0.45) MEN1KMT2APRKCIPDE5AATM
SCHEMBL5120390 0.85 MEN1 (0.57) MEN1KMT2APRKCIAPPPDE5A
SCHEMBL5122225 0.84 PRKCI (0.42) MEN1KMT2APRKCIPDE5AROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 MEN1 696/4885KMT2A 388/4885PRKCI 1513/4885

“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.