SCHEMBL5124282

SCHEMBL5124282

COc1ccc(CNc2nc(-c3cccnc3)nc3sc([N+](=O)[O-])cc23)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
PDE5A O76074 3/20 0.50
MAPT P10636 4/20 0.48
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2D6 P10635 5/20 0.46
CYP2C19 P33261 5/20 0.46
USP2 O75604 4/20 0.46
LMNA P02545 4/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP2C9 P11712 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 3/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
USP1 O94782 2/20 0.46
WDR48 Q8TAF3 2/20 0.46

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
SCHEMBL5115959 0.93 PDE5A (0.48) MEN1KMT2APDE5AMAPTCYP1A2
SCHEMBL7506653 0.90 PDE5A (0.46) MEN1KMT2APDE5AMAPTCYP1A2
SCHEMBL5124328 0.90 MEN1 (0.52) MEN1KMT2APDE5AMAPTLMNA
SCHEMBL5129346 0.86 MEN1 (0.42) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL5126440 0.86 PDE5A (0.62) MEN1KMT2APDE5AMAPTCYP1A2
SCHEMBL5127471 0.86 POLB (0.58) MEN1KMT2APDE5AMAPTCYP1A2
SCHEMBL5128008 0.86 KMT2A (0.56) MEN1KMT2APDE5AMAPTCYP1A2
SCHEMBL5117229 0.86 PDE5A (0.67) MEN1KMT2APDE5AMAPTCYP1A2
SCHEMBL5127916 0.85 PDE5A (0.52) MEN1KMT2APDE5AMAPTCYP1A2
SCHEMBL5119735 0.85 MEN1 (0.55) MEN1KMT2APDE5AMAPTCYP1A2

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 388/4885PDE5A 2002/4885

“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.