SCHEMBL4930772

SCHEMBL4930772

O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccncc2)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 6/20 0.73
▸ ESR1 P03372 2/20 0.73
▸ CNR1 P21554 1/20 0.66
▸ NPC1 O15118 2/20 0.64
▸ PPARG P37231 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ NR2E3 Q9Y5X4 1/20 0.64
▸ NCOR2 Q9Y618 1/20 0.64
▸ HDAC3 O15379 1/20 0.64
▸ HDAC4 P56524 1/20 0.64
▸ HDAC1 Q13547 1/20 0.64
▸ HDAC7 Q8WUI4 1/20 0.64
▸ HDAC2 Q92769 1/20 0.64
▸ HDAC10 Q969S8 1/20 0.64
▸ HDAC11 Q96DB2 1/20 0.64
▸ HDAC8 Q9BY41 1/20 0.64
▸ HDAC6 Q9UBN7 1/20 0.64
▸ HDAC9 Q9UKV0 1/20 0.64
▸ HDAC5 Q9UQL6 1/20 0.64

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
SCHEMBL4931342 0.86 NPC1 (0.80) ESRRGESR1NPC1PPARGRAB9A
SCHEMBL20764016 0.84 ESRRG (1.00) ESRRGESR1NPC1PPARGRAB9A
SCHEMBL20764243 0.84 HDAC3 (0.61) ESRRGESR1NPC1PPARGRAB9A
SCHEMBL20764080 0.83 ESRRG (0.78) ESRRGESR1CNR1NPC1PPARG
SCHEMBL20764065 0.83 ESRRG (0.72) ESRRGESR1CNR1NPC1PPARG
SCHEMBL4929228 0.83 SMN1; SMN2 (0.82) ESRRGESR1NPC1PPARGRAB9A
SCHEMBL20764115 0.82 ESRRG (0.78) ESRRGESR1CNR1NPC1PPARG
SCHEMBL20764061 0.81 NPC1 (0.75) ESRRGESR1NPC1PPARGRAB9A
SCHEMBL20764027 0.80 ESRRG (1.00) ESRRGESR1NPC1PPARGRAB9A
SCHEMBL20764102 0.80 ESRRG (0.72) ESRRGESR1CNR1NPC1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US claimed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 — — EP claimed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP claimed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 — — WO claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 — — EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 — — 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN ESRRG 2336/4885ESR1 1149/4885CNR1 1457/4885

“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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