SCHEMBL4697723

SCHEMBL4697723

COc1ccc2nc(Cc3ccccc3)n(CC(=O)C(C)(C)C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.47
KCNH2 Q12809 1/20 0.47
BRD4 O60885 1/20 0.46
PLA2G2A P14555 1/20 0.46
TBXA2R P21731 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4695473 0.91 ALDH1A1 (0.51) KCNH2TBXA2RKDM4E
SCHEMBL4695917 0.90 NTRK1 (0.47) ACSS2BRD4PLA2G2ATBXA2R
SCHEMBL4697452 0.84 MTNR1A (0.48) ACSS2TBXA2R
SCHEMBL4694620 0.82 BRD4 (0.53) ACSS2BRD4KDM4ETP53MAPT
SCHEMBL4697527 0.82 ALDH1A1 (0.50) TBXA2R
SCHEMBL4693967 0.81 POLB (0.52) ACSS2BRD4KDM4EMAPT
SCHEMBL4699300 0.79 MTNR1A (0.47) ACSS2
SCHEMBL9122314 0.78 JAK2 (0.54) ACSS2BRD4KDM4ETP53MAPT
SCHEMBL4696635 0.78 BRD4 (0.53) ACSS2BRD4PLA2G2ATBXA2RTP53
SCHEMBL28487262 0.77 L3MBTL1 (0.49) ACSS2BRD4PLA2G2ATP53MAPT

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 5 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
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 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 (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 ACSS2 2658/4885KCNH2 1/4885BRD4 3206/4885

“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.