SCHEMBL4696635

SCHEMBL4696635

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
TSPO P30536 2/20 0.52
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
PLA2G2A P14555 3/20 0.49
TBXA2R P21731 1/20 0.49
ACSS2 Q9NR19 1/20 0.49
PLA2G10 O15496 1/20 0.48
PLA2G1B P04054 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
CCR9 P51686 1/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR2 P34972 1/20 0.46

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
SCHEMBL4696102 0.91 ALDH1A1 (0.62) TSPOALDH1A1HTTPOLBPLA2G2A
SCHEMBL4693966 0.85 MTNR1A (0.46) ACSS2MTNR1AMTNR1B
SCHEMBL6047778 0.84 LMNA (0.51) HTTMTNR1AMTNR1BTP53MAPT
SCHEMBL4699300 0.83 MTNR1A (0.47) ALDH1A1ACSS2MTNR1AMTNR1B
SCHEMBL6047802 0.82 TSPO (0.53) TSPOACSS2TP53
SCHEMBL4696828 0.81 MTNR1A (0.48) ALDH1A1POLBACSS2MTNR1AMTNR1B
SCHEMBL4693967 0.79 POLB (0.52) BRD4ALDH1A1HTTPOLBACSS2
SCHEMBL5036280 0.78 HTT (0.59) BRD4ALDH1A1HTTPOLBACSS2
SCHEMBL4697723 0.78 ACSS2 (0.47) BRD4PLA2G2ATBXA2RACSS2TP53
SCHEMBL11221634 0.78 ALDH1A1 (0.66) TSPOALDH1A1HTTPOLBPLA2G2A

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
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US 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 BRD4 3206/4885TSPO 491/4885ALDH1A1 2026/4885

“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.