SCHEMBL5730432

SCHEMBL5730432

CN(C)S(=O)(=O)c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PBRM1 Q86U86 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ MCL1 Q07820 1/20 0.42

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
SCHEMBL7629259 0.88 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL15415994 0.79 PBRM1 (0.52) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL29557960 0.79 PBRM1 (0.52) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL27148809 0.79 SLC22A6 (0.50) MEN1KMT2AALDH1A1CYP3A4ATM
SCHEMBL29336670 0.78 HTR6 (0.52) MEN1KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL28939777 0.77 SLC22A6 (0.49) MEN1KMT2AALDH1A1CYP3A4ATM
SCHEMBL5729731 0.77 POLB (0.52) MEN1KMT2AHTR2ASMN1; SMN2HTT
Dimethylformamide SCHEMBL27597593 0.77 SLC22A6 (0.46) MEN1KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL3224553 0.77 MPO (0.49) MEN1KMT2AKDM4ETSHRHTR1A
SCHEMBL29336472 0.77 NAMPT (0.45) MEN1KMT2AALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791688-B Estrogen receptor ligands KAROBIO AB 2014-11-12 — — CN claimed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 — — US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 — — US disclosed
EP-1501826-B1 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS HOFFMANN LA ROCHE (CH) 2006-09-27 — — EP disclosed
US-6852726-B2 Substituted indoles as alpha-1 agonists SYNTEX LLC (US) 2005-02-08 — — US disclosed
EP-1501826-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. Hoffman-la Roche AG (CH) 2005-02-02 — — EP disclosed
US-6800623-B2 A 1,3-DITHIA-4-AZA-ACENAPHTHYLENE 3,3-DIOXIDE COMPOUNDS; TREATING PSYCHOLOGICAL DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-10-05 — — US disclosed
US-20030220319-A1 Substituted indoles as alpha-1 agonists SYNTEX (U.S.A.) LLC 2003-11-27 — — US disclosed
US-20030158183-A1 Method of treating schizophrenia BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-21 — — US disclosed
US-20030158181-A1 Method for treating cerebral ishaemia BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-21 — — US disclosed
WO-2003064387-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2003-08-07 — — WO disclosed
US-6525045-B2 4,5-dihydro-1,3-dithia-4-aza-acenaphthylene-3,3-dioxide compounds for example; treating ischemia, Alzheimer's disease, schizophrenia; alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-25 — — US disclosed
US-20020013313-A1 4,5-dihydro-1,3-dithia-4-aza-acenaphthylene-3,3-dioxide compounds for example; treating ischemia, Alzheimer's disease, schizophrenia; alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-01-31 — — 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-20030158183-A1 Method of treating schizophrenia GRIN2A, GRIN1, CHAT MEN1 4216/4885KMT2A 2721/4885ALDH1A1 998/4885
US-20020013313-A1 4,5-dihydro-1,3-dithia-4-aza-acenaphthylene-3,3-dioxide compounds for example; treating ischemia, Alzheimer's disease, schizophrenia; alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) GRIA4, GRIN1, GRIN3A MEN1 4858/4885KMT2A 1321/4885ALDH1A1 236/4885
US-20030220319-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1B MEN1 3962/4885KMT2A 3486/4885ALDH1A1 475/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS MEN1 2257/4885KMT2A 2665/4885ALDH1A1 1786/4885
US-20030158181-A1 Method for treating cerebral ishaemia PYGB, DCX, INA MEN1 1044/4885KMT2A 2763/4885ALDH1A1 219/4885

“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.

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