SCHEMBL5129346

SCHEMBL5129346

COc1ccc(CNc2nc(-c3cnccn3)nc3sc([N+](=O)[O-])cc23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP7 P55210 2/20 0.42
CASP6 P55212 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
ATM Q13315 1/20 0.41
APP P05067 4/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
ACHE P22303 5/20 0.38
BCHE P06276 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38

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
SCHEMBL5127403 0.93 PDE5A (0.46)
SCHEMBL5121441 0.89 MEN1 (0.47) MEN1KMT2ATNFNOD1ATM
SCHEMBL5124282 0.86 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5124328 0.86 MEN1 (0.52) MEN1KMT2ACASP7CASP6ALDH1A1
SCHEMBL5122834 0.86 NPC1 (0.48) MEN1KMT2ATNFNOD1APP
SCHEMBL5120999 0.86 HTT (0.42) MEN1KMT2ACASP6ALDH1A1LMNA
SCHEMBL5128933 0.85 PDE5A (0.49) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL5128902 0.85 ADORA2A (0.43) MEN1KMT2AATMNPC1RAB9A
SCHEMBL5124236 0.85 MEN1 (0.46) MEN1KMT2ATNFNOD1APP
SCHEMBL5127494 0.85 MEN1 (0.46) MEN1KMT2ATNFNOD1APP

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 388/4885CASP7 2827/4885

“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.