SCHEMBL5881801

SCHEMBL5881801

O=C(O)c1cnc(NCC2CC2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 17/20 0.47
TDP1 Q9NUW8 1/20 0.45
HCAR3 P49019 2/20 0.44

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
SCHEMBL5881958 0.86 MAPK1 (0.56) PRKCQ
SCHEMBL26914409 0.85 HCAR3 (0.58) TDP1HCAR3
SCHEMBL26914411 0.85 HCAR3 (0.58) TDP1HCAR3
SCHEMBL5881555 0.81 PRKCQ (0.49) PRKCQTDP1
SCHEMBL3368189 0.80 PRKCQ (0.49) PRKCQ
SCHEMBL6645006 0.79 LDHA (0.49) HCAR3
SCHEMBL5881712 0.78 HCAR3 (0.61) TDP1HCAR3
SCHEMBL27191142 0.78 HCAR3 (0.62) TDP1HCAR3
SCHEMBL30792857 0.78 HCAR3 (0.62) TDP1HCAR3
SCHEMBL2304671 0.77 ALDH1A1 (0.57) PRKCQTDP1

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-20060135554-A1 Novel compounds ASTRAZENECA AB (SE) 2006-06-22 US disclosed
US-7030139-B2 Compounds ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 US disclosed
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 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-20060135554-A1 Novel compounds OPRL1, OPRK1, TRPV1 PRKCQ 2881/4885TDP1 3487/4885HCAR3 806/4885

“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.