SCHEMBL903388

SCHEMBL903388

Oc1cc(Br)ccc1-c1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.57
FFAR1 O14842 2/20 0.48
F2 P00734 6/20 0.47
F10 P00742 6/20 0.47
PLG P00747 6/20 0.47
PLAU P00749 6/20 0.47
PRSS1 P07477 6/20 0.47
PLAT P00750 5/20 0.47
HPN P05981 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
IDO1 P14902 4/20 0.45
CHEK1 O14757 1/20 0.43
ASIC3 Q9UHC3 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL903497 0.89 CYP19A1 (0.50) CYP19A1FFAR1F2F10PLG
SCHEMBL903531 0.89 CYP19A1 (0.50) CYP19A1FFAR1F2F10PLG
SCHEMBL11474936 0.88 CYP19A1 (0.61) CYP19A1FFAR1F2F10PLG
SCHEMBL17422783 0.82 CYP19A1 (0.71) CYP19A1FFAR1IDO1CHEK1ASIC3
SCHEMBL12698675 0.81 CYP19A1 (0.56) CYP19A1FFAR1F2F10PLG
SCHEMBL19889776 0.78 CDK5 (0.51) F2F10PLGPLAUPRSS1
SCHEMBL18845618 0.78 KDM4E (0.62) CYP19A1FFAR1F2F10PLG
SCHEMBL18817905 0.78 HPN (0.53) CYP19A1F2F10PLGPLAU
SCHEMBL18817932 0.78 HPN (0.53) CYP19A1F2F10PLGPLAU
SCHEMBL903395 0.78 CYP19A1 (0.49) CYP19A1FFAR1F2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
EP-2621279-B1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-20180065985-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARPE & DOHME CORP. (US) 2018-03-08 US disclosed
US-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-11-23 US disclosed
US-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-11-23 US disclosed
US-9725464-B2 Process for preparing tetracyclic heterocycle compounds MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-9725464-B2 Process for preparing tetracyclic heterocycle compounds MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 US disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 US disclosed
WO-2012050848-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2012-04-19 WO disclosed
WO-2012041227-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION 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
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-2012040924-A1 FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US 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 (8 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CYP19A1 3552/4885FFAR1 3561/4885F2 3782/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CYP19A1 3552/4885FFAR1 3561/4885F2 3782/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 CYP19A1 3552/4885FFAR1 3561/4885F2 3782/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CYP19A1 3552/4885FFAR1 3561/4885F2 3782/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CYP19A1 3552/4885FFAR1 3561/4885F2 3782/4885
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, ZC3HAV1L CYP19A1 596/4885FFAR1 1955/4885F2 232/4885
US-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS IDO1, IDO2, TPH1 CYP19A1 173/4885FFAR1 1940/4885F2 1264/4885
US-20180065985-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS CYP1B1, CYP1A2, CYP2F1 CYP19A1 54/4885FFAR1 4144/4885F2 63/4885

“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.