SCHEMBL4693967

SCHEMBL4693967

COc1ccc2nc(C(=O)c3ccccc3)n(CC(=O)C(C)(C)C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
ACSS2 Q9NR19 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 3/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.44
SCD O00767 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
BRD4 O60885 1/20 0.42

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
SCHEMBL4699300 0.87 MTNR1A (0.47) ACSS2ALDH1A1MTNR1AMTNR1B
SCHEMBL4696808 0.84 POLB (0.57) POLBLMNAACSS2KDM4EALDH1A1
SCHEMBL6047800 0.83 POLB (0.49) POLBLMNAACSS2KDM4EALDH1A1
SCHEMBL4697646 0.83 MTNR1A (0.44) ACSS2ALDH1A1MTNR1AMTNR1B
SCHEMBL4694620 0.83 BRD4 (0.53) LMNAACSS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL4693966 0.81 MTNR1A (0.46) ACSS2MTNR1AMTNR1B
SCHEMBL4697723 0.81 ACSS2 (0.47) ACSS2KDM4EMAPTBRD4
SCHEMBL6047887 0.81 POLB (0.53) POLBLMNAACSS2KDM4EALDH1A1
SCHEMBL4695917 0.81 NTRK1 (0.47) ACSS2BRD4
SCHEMBL6047767 0.80 POLB (0.57) POLBLMNAACSS2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646614-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2008-09-10 EP claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
EP-1646614-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-04-19 EP claimed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 WO claimed
EP-1646614-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2008-09-10 EP disclosed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US disclosed
EP-1646614-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-04-19 EP disclosed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 POLB 3975/4885LMNA 888/4885ACSS2 2658/4885

“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.