SCHEMBL5118536

SCHEMBL5118536

COc1ccc(CNc2nc(-c3ccno3)nc3sc([N+](=O)[O-])cc23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
APP P05067 5/20 0.40
ATM Q13315 1/20 0.40
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ACHE P22303 7/20 0.39
BCHE P06276 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
POLB P06746 1/20 0.38
PDE5A O76074 1/20 0.37

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
SCHEMBL5116761 0.93 PDE5A (0.47) PDE5A
SCHEMBL5128125 0.86 HTT (0.39) MEN1KMT2AAPPMAPTALDH1A1
SCHEMBL5122125 0.86 NPC1 (0.47) MEN1KMT2AAPPTNFNOD1
SCHEMBL5116210 0.85 PDE5A (0.50) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL5118457 0.85 USP1 (0.40) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5124328 0.85 MEN1 (0.52) MEN1KMT2AAPPATMTNF
SCHEMBL5122880 0.85 MEN1 (0.46) MEN1KMT2AAPPTNFNOD1
SCHEMBL5115451 0.85 MEN1 (0.46) MEN1KMT2AAPPTNFNOD1
SCHEMBL5114902 0.85 MEN1 (0.44) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL5122390 0.83 MEN1 (0.45) MEN1KMT2AAPPTNFNOD1

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 388/4885APP 4123/4885

“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.