SCHEMBL4602845

SCHEMBL4602845

O=Cc1csc2c(F)cccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.56
ERN1 O75460 4/20 0.44
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MIF P14174 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
IMPDH2 P12268 1/20 0.32

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
SCHEMBL30489914 1.00 CYP2A6 (0.56) CYP2A6ERN1ALDH1A1HTTSMN1; SMN2
SCHEMBL14156856 0.82 CYP2A6 (0.62) CYP2A6ERN1ALDH1A1MEN1KMT2A
SCHEMBL20954493 0.78 CYP2A6 (0.56) CYP2A6ERN1ALDH1A1HTTSMN1; SMN2
SCHEMBL10692786 0.78 CYP2A6 (0.56) CYP2A6ERN1ALDH1A1HTTSMN1; SMN2
SCHEMBL21828957 0.78 CYP2A6 (0.56) CYP2A6ERN1ALDH1A1MEN1KMT2A
SCHEMBL20954351 0.77 CYP2A6 (0.51) CYP2A6ERN1ALDH1A1HTTSMN1; SMN2
SCHEMBL25032981 0.76 CYP2A6 (0.55) CYP2A6ERN1ALDH1A1MEN1KMT2A
SCHEMBL15595312 0.76 RXRA (0.49) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL20954531 0.74 CYP2A6 (0.51) CYP2A6ERN1ALDH1A1HTTMEN1
SCHEMBL15573987 0.74 AKR1A1 (0.32) CYP2A6ERN1ALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491935-B Novel analogs as modulators of androgen and glucocorticoid receptors 昂科斯特拉公司 2023-08-22 CN disclosed
EP-3707143-B9 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2023-04-12 EP disclosed
EP-3707143-B1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2022-12-28 EP disclosed
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. (US) 2022-12-15 US disclosed
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. (US) 2022-12-15 US disclosed
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators ONCOSTELLAE, S.L. 2022-09-27 US disclosed
US-11014935-B2 Compounds for the treatment of paramyxovirus viral infections Janssen Biopharma, Inc. (US) 2021-05-25 US disclosed
US-11014935-B2 Compounds for the treatment of paramyxovirus viral infections Janssen Biopharma, Inc. (US) 2021-05-25 US disclosed
US-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE, S.L. (ES) 2020-10-15 US disclosed
EP-3707143-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS Oncostellae, S.L. (ES) 2020-09-16 EP disclosed
US-20070191459-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for Lowering Lipids and Lowering Blood Glucose Levels JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 US disclosed
US-20070191453-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION SMITH-SWINTOSKY VIRGINIA L 2007-08-16 US disclosed
US-20070191451-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS SMITH-SWINTOSKY VIRGINIA L 2007-08-16 US disclosed
US-20070191452-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN SMITH-SWINTOSKY VIRGINIA L 2007-08-16 US disclosed
EP-1794143-A1 NOVEL BENZO-FUSED HETEROARYL SULFAMIDE DERIVATIVES USEFUL AS ANTICONVULSANT AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-13 EP disclosed
US-20060276528-A1 Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents ABDEL-MAGID AHMED F 2006-12-07 US disclosed
US-20060270856-A1 Process for preparation of sulfamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2006-11-30 US disclosed
WO-2006127184-A1 PROCESS FOR PREPARATION OF SULFAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-30 WO disclosed
WO-2006023861-A1 NOVEL BENZO-FUSED HETEROARYL SULFAMIDE DERIVATIVES USEFUL AS ANTICONVULSANT AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-02 WO disclosed
US-20060047001-A1 Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents JANSSEN PHARMACAEUTICA N.V. (BE) 2006-03-02 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 (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-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS MAVS, SARS1, ZC3HAV1 CYP2A6 4442/4885ERN1 1684/4885ALDH1A1 3714/4885
US-11014935-B2 Compounds for the treatment of paramyxovirus viral infections MAVS, SARS1, ZC3HAV1 CYP2A6 4442/4885ERN1 1684/4885ALDH1A1 3714/4885
US-20060276528-A1 Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents GABRA5, SULT2A1, SYNGR2 CYP2A6 135/4885ERN1 4413/4885ALDH1A1 1128/4885
US-20070191451-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS NLN, CTSA, SMN1; SMN2 CYP2A6 2859/4885ERN1 3139/4885ALDH1A1 470/4885
US-20060047001-A1 Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents GABRE, GABRB2, GABRA2 CYP2A6 223/4885ERN1 4454/4885ALDH1A1 855/4885
US-20070191459-A1 Use of Benzo-Heteroaryl Sulfamide Derivatives for Lowering Lipids and Lowering Blood Glucose Levels LIPC, GPR119, APOB CYP2A6 484/4885ERN1 4588/4885ALDH1A1 694/4885
US-20070191452-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OPRL1, SULT2A1, OPRK1 CYP2A6 326/4885ERN1 4693/4885ALDH1A1 209/4885
US-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS NR5A1, AR, NR3C1 CYP2A6 511/4885ERN1 4241/4885ALDH1A1 1672/4885
US-20060270856-A1 Process for preparation of sulfamide derivatives STS, SULT2A1, SULT1A1 CYP2A6 852/4885ERN1 3664/4885ALDH1A1 1607/4885
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators AR, NR5A1, NR3C1 CYP2A6 445/4885ERN1 4311/4885ALDH1A1 1496/4885
US-20070191453-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION SULT2A1, SULT1A1, STS CYP2A6 146/4885ERN1 4015/4885ALDH1A1 48/4885

“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.