SCHEMBL903537

SCHEMBL903537

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP19A1 P11511 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
DAO P14920 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPN P05981 2/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
ASIC3 Q9UHC3 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
SIRT1 Q96EB6 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL903395 0.87 CYP19A1 (0.49) CYP19A1DAOHPNASIC3F2
SCHEMBL15889488 0.86 CYP19A1 (0.46) MEN1KMT2ACYP19A1NPC1RAB9A
SCHEMBL903525 0.85 CYP19A1 (0.47) MEN1KMT2ACYP19A1NPC1RAB9A
SCHEMBL903497 0.77 CYP19A1 (0.50) MEN1KMT2ACYP19A1NPC1RAB9A
SCHEMBL903528 0.77 HPN (0.38) MEN1KMT2ACYP19A1NPC1RAB9A
SCHEMBL15889343 0.75 CCNE1 (0.43) DAOKDM4ELMNA
SCHEMBL15898168 0.75 DAO (0.45) DAOKDM4ELMNA
SCHEMBL10217268 0.74 CYP19A1 (0.45) MEN1KMT2ACYP19A1NPC1RAB9A
SCHEMBL903524 0.74 KDM4E (0.50) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL18817932 0.73 HPN (0.53) MEN1KMT2ACYP19A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945952-B1 HETEROCYCLE-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2019-08-28 EP 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
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-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
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-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-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-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-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

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

For each of this compound's patents that has machine-readable text (2 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 MEN1 4218/4885KMT2A 3555/4885CYP19A1 612/4885
US-20150335648-A1 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, HCCS, CYP3A43 MEN1 1801/4885KMT2A 2528/4885CYP19A1 139/4885

“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.