SCHEMBL12298751

SCHEMBL12298751

CC(=O)Nc1ccc2cc(Br)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
MAPT P10636 4/20 0.56
RAB9A P51151 4/20 0.56
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GLA P06280 1/20 0.56
TNNI3 P19429 1/20 0.56
TNNT2 P45379 1/20 0.56
TNNC1 P63316 1/20 0.56
RUNX1 Q01196 1/20 0.56
CBFB Q13951 1/20 0.56
HTT P42858 2/20 0.50
HDAC1 Q13547 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
PABPC1 P11940 1/20 0.49

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
SCHEMBL8577441 0.88 MEN1 (0.68) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL4236970 0.83 MAPT (0.49) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL8576078 0.82 MEN1 (0.66) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL1176635 0.81 MEN1 (0.69) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL24490019 0.81 GAA (0.66) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL9674 0.80 MAPT (0.81) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL8032430 0.80 MEN1 (0.50) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL17919672 0.79 TDP1 (0.64) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL1808465 0.79 MEN1 (0.58) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL8549110 0.79 RAB9A (0.62) MEN1KMT2AMAPTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023042914-A1 PYRROLIDINE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-03-23 WO disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
EP-2545060-B1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2015-11-25 EP disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 US disclosed
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2012-11-01 US disclosed
CN-101928280-B Pepperphentonamine derivative containing naphthalene rings GUANGZHOU ZHONGWEI BIOTECHNOLOGY CO LTD 2012-09-12 CN disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
WO-2011112429-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2011-09-15 WO disclosed
CN-101928280-A Pepperphentonamine derivative containing naphthalene rings KBP BIOSCIENCES CO LTD 2010-12-29 CN disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 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 (5 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 MEN1 2525/4885KMT2A 1061/4885MAPT 1720/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L MEN1 2324/4885KMT2A 1933/4885MAPT 1146/4885
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 MEN1 3094/4885KMT2A 4056/4885MAPT 2051/4885
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES FOXM1, ZC3HAV1L, C1S MEN1 734/4885KMT2A 3780/4885MAPT 2787/4885
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L MEN1 1853/4885KMT2A 2862/4885MAPT 916/4885

“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.