SCHEMBL23958655

SCHEMBL23958655

O=C(O)c1ccc([N+](=O)[O-])c(OC2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.61
HCAR3 P49019 8/20 0.57
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.49
TTR P02766 1/20 0.46
PDE5A O76074 1/20 0.46
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
MAPT P10636 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL7436975 0.94 HCAR3 (0.61) CASP6HCAR3TSHRLMNATTR
SCHEMBL16097751 0.88 CASP6 (0.61) CASP6HCAR3TSHRLMNATTR
SCHEMBL29189597 0.87 CASP6 (0.56) CASP6HCAR3TSHRLMNATTR
SCHEMBL3798842 0.87 CASP6 (0.52) CASP6HCAR3TSHR
SCHEMBL30138067 0.85 HPGD (0.53) HCAR3LMNAPDE5AMAPT
SCHEMBL23929990 0.85 HPGD (0.53) HCAR3LMNAPDE5AMAPT
SCHEMBL25292716 0.82 HCAR3 (0.60) CASP6HCAR3TSHRLMNATTR
SCHEMBL25484985 0.81 PDE5A (0.43) CASP6HCAR3LMNAPDE5AMAPT
SCHEMBL27639772 0.81 MAPK1 (0.54) CASP6HCAR3PDE5A
SCHEMBL7353109 0.81 PDE5A (0.50) HCAR3LMNAPDE5AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 US disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 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 (2 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-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 CASP6 1376/4885HCAR3 118/4885TSHR 3778/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 CASP6 1376/4885HCAR3 118/4885TSHR 3778/4885

“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.