SCHEMBL3797953

SCHEMBL3797953

CNC(=O)c1ccc([N+](=O)[O-])c(OC2CCOC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.47
PDE4A P27815 7/20 0.47
PDE4B Q07343 7/20 0.47
PDE4C Q08493 7/20 0.47
KAT2B Q92831 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47
PDE5A O76074 1/20 0.45
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL19899988 0.87 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL20817334 0.87 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL3795836 0.87 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL3798842 0.86 CASP6 (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL3492009 0.85 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL3803162 0.82 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CKAT2B
SCHEMBL7355219 0.80 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CKAT2B
SCHEMBL29189681 0.79 VCAM1 (0.48) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL19175683 0.78 ALDH1A1 (0.54) PDE5AKMT2AALDH1A1LMNAALOX12
SCHEMBL29189597 0.77 CASP6 (0.56) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO 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-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK PDE4D 1587/4885PDE4A 1052/4885PDE4B 672/4885

“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.