SCHEMBL1591899

SCHEMBL1591899

O=Cc1c(F)cc(Br)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.33
PRKDC P78527 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
DGAT1 O75907 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL578367 0.88 ERN1 (0.37) ERN1PRKDCCA1CA2CA9
SCHEMBL3185596 0.83 ERN1 (0.50) ERN1CYP3A4TSHRTDP1PTPN1
SCHEMBL6556132 0.82 ERN1 (0.42) ERN1PRKDCCA1CA2CA9
SCHEMBL29921076 0.82 ERN1 (0.42) ERN1PRKDCCA1CA2CA9
SCHEMBL23890741 0.78 ERN1 (0.31) ERN1
SCHEMBL9947770 0.78 ERN1 (0.46) ERN1TDP1PRKDCALDH1A1
SCHEMBL17449171 0.78 ERN1 (0.33) ERN1CYP3A4PRKDC
SCHEMBL21061499 0.78 CA1 (0.33) ERN1CA1CA2CA9DGAT1
SCHEMBL19209562 0.78 MEN1 (0.37) ERN1TDP1ALDH1A1
SCHEMBL16097126 0.78 ERN1 (0.37) ERN1PRKDCCA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
US-8420646-B2 Tricyclic tetrahydroquinoline antibacterial agents PAH P&U LLC (US) 2013-04-16 US disclosed
US-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents PHARMACIA & UPJOHN COMPANY 2011-04-21 US disclosed
EP-1551849-B1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2010-07-14 EP disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 US disclosed
US-7605157-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2009-10-20 US disclosed
WO-2007086895-A9 ANTIBACTERIAL COMPOUNDS AND USES THEREOF PINNACLE PHARMACEUTICALS (US) 2007-11-08 WO disclosed
WO-2007086895-A2 ANTIBACTERIAL COMPOUNDS AND USES THEREOF PINNACLE PHARMACEUTICALS (US) 2007-08-02 WO disclosed
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. 2002-07-11 US disclosed
US-20020091118-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. 2002-07-11 US disclosed
US-20020091119-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. 2002-07-11 US disclosed
WO-2002046167-A1 BENZYL (IDENE)-LACTAMS AND THEIR USE AS 5HT1-RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2002-06-13 WO disclosed
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. 2002-06-13 US disclosed
US-6403592-B1 SEROTONIN REUPTAKE INHIBITORS PFIZER INC 2002-06-11 US disclosed
US-6380186-B1 PSYCHOTHERAPEUTIC AGENTS PFIZER INC 2002-04-30 US disclosed
US-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER PRODUCTS INC. 2002-04-25 US disclosed
EP-0929528-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1999-07-21 EP disclosed
WO-1998014433-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1998-04-09 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 (9 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-20020091118-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES MRPL21, ARAF, ARL1 ERN1 1764/4885CYP3A4 276/4885TSHR 3436/4885
US-20020091119-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 ERN1 1764/4885CYP3A4 276/4885TSHR 3436/4885
US-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents QTRT1, QTRT2, NQO2 ERN1 1952/4885CYP3A4 115/4885TSHR 3316/4885
US-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 ERN1 1705/4885CYP3A4 430/4885TSHR 3050/4885
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 ERN1 1764/4885CYP3A4 276/4885TSHR 3436/4885
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ERN1 1567/4885CYP3A4 4167/4885TSHR 3560/4885
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES MRPL21, ARAF, ARL1 ERN1 1764/4885CYP3A4 276/4885TSHR 3436/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ERN1 1567/4885CYP3A4 4167/4885TSHR 3560/4885
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 ERN1 1952/4885CYP3A4 115/4885TSHR 3316/4885

“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.