SCHEMBL8420644

SCHEMBL8420644

COc1ccc(CBr)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.41
MEN1 O00255 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PABPC1 P11940 1/20 0.40
ACHE P22303 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20901309 0.84 KMT2A (0.47) APLNRKDM1AMAOAMAOBKMT2A
SCHEMBL10888153 0.83 IDO1 (0.46) APLNRGAAHTR2ACA12CA1
SCHEMBL11295684 0.83 GPR84 (0.47) APLNRKDM1AMAOAMAOBKMT2A
SCHEMBL2060421 0.83 HTR2A (0.47) APLNRHTR2ACA12CA1CA2
SCHEMBL30486651 0.81 APLNR (0.46) APLNRMAOAHTR2ACA12CA1
SCHEMBL1690285 0.81 HTT (0.46) APLNRKDM1AMAOAMAOBKMT2A
SCHEMBL3527192 0.81 APLNR (0.46) APLNRMAOAHTR2ACA12CA1
SCHEMBL13186415 0.80 GAA (0.50) APLNRKDM1AMAOAMAOBKMT2A
SCHEMBL3723675 0.80 ALDH1A1 (0.42) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3718619 0.80 NQO1 (0.48) KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
US-20230272381-A1 SINGLE-STRANDED POLYNUCLEOTIDE NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2023-08-31 US disclosed
US-20220389019-A1 TrkB POSITIVE ALLOSTERIC MODULATORS INSERM - INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (FR) 2022-12-08 US disclosed
EP-4010341-A1 TRKB POSITIVE ALLOSTERIC MODULATORS Université de Strasbourg (FR) 2022-06-15 EP disclosed
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE UNIV INDIANA TRUSTEES (US) 2022-05-12 US disclosed
CN-114450006-A TrkB positive allosteric modulators 斯特拉斯堡大学 2022-05-06 CN disclosed
US-11267780-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-03-08 US disclosed
EP-3787669-A1 COMPOUNDS FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE The Trustees of Indiana University (US) 2021-03-10 EP disclosed
US-20160214956-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-07-28 US disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 US disclosed
EP-3041836-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-07-13 EP disclosed
EP-3030560-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd (CH) 2016-06-15 EP disclosed
WO-2015033307-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-03-12 WO disclosed
WO-2015033307-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-03-12 WO disclosed
WO-2015019325-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-02-12 WO disclosed
US-8674101-B2 Nucleophilic fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 US disclosed
US-7504424-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20060276506-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-12-07 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-20160214956-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GUCY1A2, GUCY1A1, GUCY1B1 APLNR 524/4885KDM1A 2483/4885MAOA 959/4885
US-11267780-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT APLNR 319/4885KDM1A 2635/4885MAOA 267/4885
US-20230272381-A1 SINGLE-STRANDED POLYNUCLEOTIDE TRDMT1, ADAR, TARBP1 APLNR 310/4885KDM1A 4060/4885MAOA 3972/4885
US-20060276506-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 APLNR 853/4885KDM1A 3711/4885MAOA 1487/4885
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT APLNR 319/4885KDM1A 2635/4885MAOA 267/4885
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT APLNR 319/4885KDM1A 2635/4885MAOA 267/4885
US-20220389019-A1 TrkB POSITIVE ALLOSTERIC MODULATORS HTT, NTRK2, BDNF APLNR 938/4885KDM1A 1899/4885MAOA 829/4885
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS UTS2R, ADORA3, P2RX7 APLNR 256/4885KDM1A 776/4885MAOA 1555/4885

“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.