SCHEMBL4309629

SCHEMBL4309629

COc1ccc(CNc2cc(OC)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ CRHBP P24387 2/20 0.62
▸ CRHR2 Q13324 2/20 0.62
▸ NPC1 O15118 2/20 0.57
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ AKR1B10 O60218 1/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ AKR1C4 P17516 1/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C2 P52895 1/20 0.50
▸ AKR1C1 Q04828 1/20 0.50
▸ ALPG P10696 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL13186987 0.92 MAPT (0.61) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL9698418 0.92 HTR6 (0.58) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL6474847 0.92 HTR6 (0.58) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL10358222 0.91 MAPT (0.77) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL14407558 0.91 MAPT (0.58) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL16407609 0.89 NPC1 (0.53) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL15819713 0.89 MAPT (0.57) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL31612035 0.86 MAPT (0.54) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL17184370 0.86 MAPT (0.54) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL18995964 0.86 MAPT (0.54) MAPTKMT2AMEN1CRHBPCRHR2

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 3 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 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 498/4885KMT2A 2570/4885MEN1 984/4885

“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.

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