SCHEMBL903395

SCHEMBL903395

Oc1cc(Br)cc(F)c1-c1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
IDO1 P14902 7/20 0.40
ASIC3 Q9UHC3 2/20 0.40
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
PLG P00747 2/20 0.38
PLAU P00749 2/20 0.38
PLAT P00750 2/20 0.38
PRSS1 P07477 2/20 0.38
AR P10275 1/20 0.37
HPN P05981 1/20 0.36
TDO2 P48775 1/20 0.36
DAO P14920 1/20 0.36
FLT3 P36888 1/20 0.35
FFAR1 O14842 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL903525 0.89 CYP19A1 (0.47) CYP19A1IDO1ASIC3ARHPN
SCHEMBL903537 0.87 MEN1 (0.46) CYP19A1ASIC3F2F10PLG
SCHEMBL1459905 0.78 CYP19A1 (0.58) CYP19A1IDO1ASIC3FFAR1
SCHEMBL903388 0.78 CYP19A1 (0.57) CYP19A1IDO1ASIC3F2F10
SCHEMBL23775135 0.76 RAB9A (0.46) CYP19A1IDO1ASIC3F2F10
SCHEMBL17422783 0.75 CYP19A1 (0.71) CYP19A1IDO1ASIC3FLT3FFAR1
SCHEMBL15889488 0.73 CYP19A1 (0.46) CYP19A1ASIC3F2F10PLG
SCHEMBL1459901 0.72 CYP19A1 (0.51) CYP19A1IDO1FFAR1
SCHEMBL15898524 0.72 AR (0.46) AR
SCHEMBL30409174 0.71 CYP19A1 (0.54) CYP19A1IDO1F2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738062-B2 Chromane-substituted tetracyclic compounds and uses thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2020-08-11 US disclosed
US-20190185486-A1 CHROMANE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2019-06-20 US disclosed
WO-2018032468-A1 HETEROCYCLE-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2018-02-22 WO disclosed
WO-2018035006-A1 CHROMANE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2018-02-22 WO disclosed
WO-2018035005-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2018-02-22 WO disclosed
WO-2018032467-A1 CHROMANE-SUBSTITUED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2018-02-22 WO disclosed
US-9555038-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-9555038-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
US-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
US-20150335648-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150335648-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
WO-2014110705-A9 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-03-05 WO disclosed
WO-2014110687-A1 THIAZOLYL-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
WO-2014110705-A1 HETEROCYCLE-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
WO-2014110706-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
WO-2014110688-A1 THIOPHENE- SUB STITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
WO-2012040923-A1 TETRACYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 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 (4 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-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, TPMT, RPL35 CYP19A1 612/4885IDO1 1654/4885ASIC3 4065/4885
US-10738062-B2 Chromane-substituted tetracyclic compounds and uses thereof for the treatment of viral diseases HAVCR2, C3AR1, HCCS CYP19A1 135/4885IDO1 1636/4885ASIC3 2215/4885
US-20150335648-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, HCCS, CYP3A43 CYP19A1 139/4885IDO1 887/4885ASIC3 3345/4885
US-20190185486-A1 CHROMANE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, C3AR1, HCCS CYP19A1 135/4885IDO1 1636/4885ASIC3 2215/4885

“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.