SCHEMBL903512

SCHEMBL903512

C/C(=N\Nc1ccc(Br)cc1)c1ccc(Br)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
GAA P10253 6/20 0.47
TDP1 Q9NUW8 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.47
CASP6 P55212 1/20 0.47
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
APEX1 P27695 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 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
SCHEMBL24731121 0.94 MAPT (0.45) MAPTGAATDP1RAB9AALDH1A1
SCHEMBL12698653 0.83 MAPT (0.46) MAPTGAATDP1RAB9AALDH1A1
SCHEMBL17613184 0.79 MAPT (0.55) MAPTGAATDP1RAB9AALDH1A1
SCHEMBL30204341 0.77 GSTA1 (0.56) MAPTGAARAB9AALDH1A1KDM4E
SCHEMBL903543 0.76 MAPT (0.43) MAPTGAATDP1RAB9AALDH1A1
SCHEMBL3304135 0.75 ALDH2 (0.47) MAPTGAAHPGDNPC1MEN1
SCHEMBL2144787 0.75 ALDH2 (0.47) MAPTGAAHPGDNPC1MEN1
SCHEMBL3304132 0.75 ALDH2 (0.47) MAPTGAAHPGDNPC1MEN1
SCHEMBL1462528 0.74 RAB9A (0.47) MAPTGAATDP1RAB9AALDH1A1
SCHEMBL180203 0.74 MAPT (0.61) MAPTGAATDP1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20170166586-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MSD R&D (CHINA) CO., LTD (CN) 2017-06-15 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20160257698-A1 PROCESS FOR PREPARING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
WO-2016073659-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-05-12 WO disclosed
WO-2015065821-A1 PROCESS FOR PREPARING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-05-07 WO disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 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
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-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION 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
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-2012041227-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 MAPT 4456/4885GAA 530/4885TDP1 4225/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885GAA 530/4885TDP1 4225/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885GAA 530/4885TDP1 4225/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885GAA 530/4885TDP1 4225/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885GAA 530/4885TDP1 4225/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885GAA 530/4885TDP1 4225/4885
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, ZC3HAV1L MAPT 2414/4885GAA 75/4885TDP1 3056/4885
US-20170166586-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS CYP1A2, CYP3A5, CYP1B1 MAPT 3885/4885GAA 1299/4885TDP1 2287/4885
US-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS IDO1, IDO2, TPH1 MAPT 2778/4885GAA 3470/4885TDP1 3224/4885
US-20160257698-A1 PROCESS FOR PREPARING TETRACYCLIC HETEROCYCLE COMPOUNDS GTF3C5, HCCS, GTF3C1 MAPT 3829/4885GAA 385/4885TDP1 3572/4885

“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.