SCHEMBL10074429

SCHEMBL10074429

COc1ccc2c(C(=O)c3ccc(CO)cc3)nn(CC(=O)C(C)(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.44
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PTGER4 P35408 3/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PDE5A O76074 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP19A1 P11511 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL10073857 0.89 SSTR5 (0.46) SSTR5PTGER4LMNAALDH1A1POLB
SCHEMBL14094053 0.88 SSTR5 (0.41) SSTR5HDAC1HDAC2HDAC6PTGER4
SCHEMBL3913134 0.86 SSTR5 (0.42) SSTR5HDAC6PTGER4GRIN1GRIN2B
SCHEMBL13901142 0.85 SSTR5 (0.40) SSTR5HDAC1HDAC2HDAC6PTGER4
SCHEMBL13794680 0.84 SSTR5 (0.43) SSTR5PTGER4ALDH1A1PDE10AABCB1
SCHEMBL10073866 0.84 SSTR5 (0.43) SSTR5ALDH1A1PDE10AMAPTABCB1
SCHEMBL10074047 0.83 SSTR5 (0.42) SSTR5PTGER4LMNAALDH1A1TDP1
SCHEMBL5001501 0.83 SSTR5 (0.41) SSTR5HDAC6PTGER4ALDH1A1PDE10A
SCHEMBL14094058 0.83 SSTR5 (0.41) SSTR5PTGER4GRIN2BALDH1A1PDE10A
SCHEMBL2212451 0.82 SSTR5 (0.49) SSTR5PTGER4PDE5ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562909-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK SHARP & DOHME (US) 2012-06-27 EP disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
EP-1663987-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-03-18 EP disclosed
US-7410992-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-12 US disclosed
US-7410992-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-12 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-06-07 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 US disclosed
US-7196082-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2007-03-27 US disclosed
US-20070010491-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-01-11 US disclosed
US-20070010491-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2007-01-11 US 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-20070010491-A1 Ophthalmic compositions for treating ocular hypertension REN, KCNH2, KCNH3 SSTR5 296/4885HDAC1 200/4885HDAC2 501/4885
US-20070129418-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 SSTR5 1031/4885HDAC1 799/4885HDAC2 1069/4885

“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.