SCHEMBL1924802

SCHEMBL1924802

C[N+](C)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
IDO1 P14902 2/20 0.48
THRB P10828 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH7 P40394 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL460010 0.71 PTPRF (0.47) CYP3A4MAPTKDM4EIDO1THRB
SCHEMBL745087 0.71 IDO1 (0.50) CYP3A4MAPTKDM4EIDO1THRB
SCHEMBL24334039 0.70 CYP3A4 (0.94) CYP3A4MAPTKDM4EIDO1THRB
N-Benzylmethylamine SCHEMBL2271 0.70
N-Benzylmethylamine SCHEMBL4609847 0.70 CYP3A4 (0.94) CYP3A4MAPTKDM4EIDO1THRB
SCHEMBL5028089 0.70
N-Benzylmethylamine SCHEMBL11696446 0.70 CYP3A4 (0.94) CYP3A4MAPTKDM4EIDO1THRB
N-Benzylmethylamine SCHEMBL29287388 0.70
Bromide SCHEMBL17187557 0.70 PTPRF (0.46) CYP3A4MAPTKDM4EIDO1THRB
Hydrochloric Acid SCHEMBL6045117 0.70 MAPT (0.46) CYP3A4MAPTKDM4EIDO1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702401-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2023-07-18 US disclosed
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same HOFFMANN-LA ROCHE INC. (US) 2022-02-08 US disclosed
US-20220000847-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC (US) 2022-01-06 US disclosed
US-11053216-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2021-07-06 US disclosed
EP-3089971-B1 COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2020-07-29 EP disclosed
US-20200109144-A1 Sulfonimidoylpurinone Compounds HOFFMANN-LA ROCHE INC. (US) 2020-04-09 US disclosed
US-20200071296-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2020-03-05 US disclosed
EP-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
US-10399983-B2 Sulfonimidoylpurinone compounds HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
US-20180208577-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-07-26 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 US disclosed
EP-2434890-A1 IAP INHIBITORS Tetralogic Pharmaceuticals Corp. (US) 2012-04-04 EP disclosed
EP-2434889-A1 IAP INHIBITORS Tetralogic Pharmaceuticals Corp. (US) 2012-04-04 EP disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 US disclosed
WO-2011068926-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2011-06-09 WO disclosed
EP-2328412-A1 IAP INHIBITORS Tetralogic Pharmaceuticals Corp. (US) 2011-06-08 EP disclosed
WO-2010138496-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 WO disclosed
WO-2010138666-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 WO disclosed
WO-2010033531-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-03-25 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 (11 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-20220000847-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF CYP3A4 4780/4885MAPT 1108/4885KDM4E 1713/4885
US-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CYP3A4 3818/4885MAPT 375/4885KDM4E 2828/4885
US-11702401-B2 Compounds and methods of use TGFB2, TGFB1, HDGF CYP3A4 4780/4885MAPT 1108/4885KDM4E 1713/4885
US-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CYP3A4 3818/4885MAPT 375/4885KDM4E 2828/4885
US-20200109144-A1 Sulfonimidoylpurinone Compounds NQO1, UGT1A1, SULT1E1 CYP3A4 128/4885MAPT 3001/4885KDM4E 2226/4885
US-10399983-B2 Sulfonimidoylpurinone compounds NQO1, UGT1A1, SULT1E1 CYP3A4 128/4885MAPT 3001/4885KDM4E 2226/4885
US-20200071296-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF CYP3A4 4780/4885MAPT 1108/4885KDM4E 1713/4885
US-11053216-B2 Compounds and methods of use TGFB2, TGFB1, HDGF CYP3A4 4780/4885MAPT 1108/4885KDM4E 1713/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 CYP3A4 199/4885MAPT 3633/4885KDM4E 1661/4885
US-20180208577-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF CYP3A4 4780/4885MAPT 1108/4885KDM4E 1713/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CYP3A4 3818/4885MAPT 375/4885KDM4E 2828/4885

“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.