SCHEMBL6136738

SCHEMBL6136738

O=C1C=CCc2ccccc2N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.48
PDK2 Q15119 1/20 0.48
BRD4 O60885 2/20 0.47
CREBBP Q92793 2/20 0.47
NPC1 O15118 2/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
THRB P10828 1/20 0.39
HK1 P19367 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
GALK1 P51570 1/20 0.39

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
SCHEMBL13772803 0.81 NPC1 (0.53) AHRPDK2BRD4CREBBPNPC1
SCHEMBL28321702 0.79 AHR (0.52) AHRPDK2BRD4CREBBPNPC1
SCHEMBL10679874 0.77 LRRK2 (0.42) AHRPDK2BRD4CREBBPMAPT
Indene SCHEMBL28982398 0.74 CA1 (0.43) AHRPDK2BRD4CREBBPNPC1
SCHEMBL1268962 0.74 HTR5A (0.42) BRD4MAPTKMT2AHTR5ACYP1A2
SCHEMBL28850751 0.74 PDE3B (0.35) MAPTGAACYP1A2
SCHEMBL8874017 0.73 GSK3B (0.56) AHRPDK2BRD4CREBBPNPC1
SCHEMBL8874013 0.73 GSK3B (0.56) AHRPDK2BRD4CREBBPNPC1
SCHEMBL4994505 0.71 PLAU (0.50) AHRPDK2BRD4CREBBPNPC1
SCHEMBL23572479 0.68 NPC1 (0.36) AHRPDK2BRD4CREBBPNPC1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015174812-A1 IMPROVED METHOD FOR PREPARING ZILPATEROL INTERQUIM, S.A. DE C.V. (MX) 2015-11-19 WO claimed
EP-0659179-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1995-08-09 EP claimed
EP-0659179-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-06-28 EP claimed
EP-0272976-B1 ZOOTECHNICAL COMPOSITIONS CONTAINING A BETA-ADRENERGIC BLOCKER ROUSSEL-UCLAF (FR) 1991-09-04 EP claimed
EP-0272976-A2 Zootechnical compositions containing a beta-adrenergic blocker ROUSSEL-UCLAF (FR) 1988-06-29 EP claimed
EP-0107569-B1 6-AMINO-7-HYDROXY-4,5,6,7-TETRAHYDROIMIDAZO(4,5,1-J,K)(1)BENZAZEPIN-2(1H)-ONE DERIVATIVES, THEIR SALTS, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1987-03-18 EP claimed
EP-0107569-A1 6-Amino-7-hydroxy-4,5,6,7-tetrahydroimidazo(4,5,1-j,k)(1)benzazepin-2(1H)-one derivatives, their salts, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1984-05-02 EP claimed
WO-2015174812-A1 IMPROVED METHOD FOR PREPARING ZILPATEROL INTERQUIM, S.A. DE C.V. (MX) 2015-11-19 WO disclosed
WO-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 WO disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
EP-1770087-A1 Selected CGRP antagonists, process for their preparation as well as their use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP disclosed
EP-1229913-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-01-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed
EP-0272976-B1 ZOOTECHNICAL COMPOSITIONS CONTAINING A BETA-ADRENERGIC BLOCKER ROUSSEL-UCLAF (FR) 1991-09-04 EP disclosed
EP-0272976-A2 Zootechnical compositions containing a beta-adrenergic blocker ROUSSEL-UCLAF (FR) 1988-06-29 EP disclosed
EP-0107569-B1 6-AMINO-7-HYDROXY-4,5,6,7-TETRAHYDROIMIDAZO(4,5,1-J,K)(1)BENZAZEPIN-2(1H)-ONE DERIVATIVES, THEIR SALTS, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1987-03-18 EP disclosed
EP-0107569-B1 6-AMINO-7-HYDROXY-4,5,6,7-TETRAHYDROIMIDAZO(4,5,1-J,K)(1)BENZAZEPIN-2(1H)-ONE DERIVATIVES, THEIR SALTS, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1987-03-18 EP disclosed
EP-0107569-A1 6-Amino-7-hydroxy-4,5,6,7-tetrahydroimidazo(4,5,1-j,k)(1)benzazepin-2(1H)-one derivatives, their salts, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1984-05-02 EP disclosed
EP-0107569-A1 6-Amino-7-hydroxy-4,5,6,7-tetrahydroimidazo(4,5,1-j,k)(1)benzazepin-2(1H)-one derivatives, their salts, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1984-05-02 EP 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-20090181946-A1 Benzaepinones as Sodium Channel Blockers TRPV1, TRPA1, KCNN1 AHR 1654/4885PDK2 3711/4885BRD4 145/4885

“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.