SCHEMBL1999571

SCHEMBL1999571

BrCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
CYP3A4 P08684 3/20 0.69
MAPT P10636 3/20 0.69
AHR P35869 1/20 0.69
GPR84 Q9NQS5 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
HTR2A P28223 4/20 0.60
HTR6 P50406 4/20 0.60
CYP2D6 P10635 3/20 0.60
HTR2C P28335 3/20 0.60
HTR1D P28221 2/20 0.60
HTR1B P28222 2/20 0.60
HTR7 P34969 2/20 0.60
MPO P05164 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2A6 P11509 1/20 0.60
NFKB1 P19838 1/20 0.60
CTSK P43235 1/20 0.60
CYP2A13 Q16696 1/20 0.60

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
SCHEMBL219533 0.83 HTR2A (0.67) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL29384576 0.83 HTR2A (0.67) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL4985934 0.82 HTR2A (0.77) MEN1KMT2ACYP3A4MAPTAHR
Arundine SCHEMBL325162 0.82 MEN1 (1.00) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL3996996 0.80 SLC6A4 (0.63) MEN1KMT2ACYP3A4MAPTAHR
Arundine SCHEMBL28335217 0.80 MEN1 (0.95) MEN1KMT2ACYP3A4MAPTAHR
Indole-3-Carbinol SCHEMBL2867957 0.80 MEN1 (0.72) MEN1KMT2ACYP3A4MAPTAHR
Indole-3-Carbinol SCHEMBL195520 0.80 MEN1 (0.72) MEN1KMT2ACYP3A4MAPTAHR
Indole-3-Carbinol SCHEMBL29350358 0.80 MEN1 (0.72) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL27929460 0.79 HTR2A (0.70) MEN1KMT2ACYP3A4MAPTAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299281-A A kind of synthetic method of the deuterium-labeled a-amino acid of stable isotope 上海化工研究院有限公司 2018-07-20 CN claimed
WO-2023067628-A1 A METHOD FOR THE PREPARATION OF INDOLE-3-CARBOXYLIC ACID DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2023-04-27 WO disclosed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
WO-2020243135-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
CN-109666157-A A kind of hydridization dynamic aggregation object and its application 翁秋梅 2019-04-23 CN disclosed
CN-109666161-A A kind of energy-absorbing method based on dynamic aggregation object 翁秋梅 2019-04-23 CN disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 EP disclosed
CN-108299281-A A kind of synthetic method of the deuterium-labeled a-amino acid of stable isotope 上海化工研究院有限公司 2018-07-20 CN disclosed
US-9988377-B2 Small molecule inducers of GDNF as potential new therapeutics for neuropsychiatric disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-05 US disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
WO-2013028999-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-02-28 WO disclosed
WO-2013026695-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed
EP-1341766-B1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
EP-1341766-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-10 EP disclosed
US-6518293-B2 Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. HOFFMANN-LA ROCHE INC. 2003-02-11 US disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 US disclosed
WO-2002042279-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 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 (1 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-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E MEN1 4758/4885KMT2A 2968/4885CYP3A4 123/4885

“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.