SCHEMBL4308799

SCHEMBL4308799

COc1ccc([N+](=O)[O-])c(NCC(=O)O)n1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
TXNRD1 Q16881 16/20 0.50
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GSR P00390 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
SCHEMBL4305170 0.89 TXNRD1 (0.56) MAPTTXNRD1S1PR4S1PR1MAPK1
SCHEMBL9694197 0.85 LMNA (0.50) MAPTTXNRD1GSR
SCHEMBL4311846 0.84 TXNRD1 (0.48) MAPTTXNRD1S1PR4S1PR1MAPK1
SCHEMBL28489675 0.83 TXNRD1 (0.57) MAPTTXNRD1S1PR4S1PR1MAPK1
SCHEMBL9794246 0.82 TXNRD1 (0.53) MAPTTXNRD1S1PR4S1PR1MAPK1
SCHEMBL13728591 0.82 TXNRD1 (0.46) MAPTTXNRD1S1PR4S1PR1MAPK1
SCHEMBL10654754 0.81 TXNRD1 (0.55) MAPTTXNRD1S1PR4S1PR1MAPK1
SCHEMBL5832677 0.81 TXNRD1 (0.63) MAPTTXNRD1RAB9AGSR
SCHEMBL3403683 0.80 TXNRD1 (0.57) MAPTTXNRD1S1PR4S1PR1MAPK1
SCHEMBL13728584 0.80 TXNRD1 (0.48) MAPTTXNRD1S1PR4S1PR1MAPK1

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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 MAPT 498/4885TXNRD1 735/4885S1PR4 1742/4885

“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.