SCHEMBL3145167

SCHEMBL3145167

Cn1ccc(-c2cc[c]cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
KEAP1 Q14145 1/20 0.59
SCN4A P35499 1/20 0.49
CYP19A1 P11511 1/20 0.47
PIK3CD O00329 1/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
TGFBR1 P36897 2/20 0.36
MAPT P10636 1/20 0.36
CHEK1 O14757 1/20 0.35
JMJD6 Q6NYC1 3/20 0.35
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.32
KDM5B Q9UGL1 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
SCHEMBL62501 0.78 KMT2A (0.62) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL1155310 0.77 KMT2A (1.00) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL26660913 0.76 ACSS2 (0.38) KMT2AKEAP1SCN4ACYP19A1MAPT
SCHEMBL6014997 0.76 KMT2A (0.50) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL26660915 0.76 DYRK1A (0.44) KMT2AKEAP1SCN4ATGFBR1
SCHEMBL12319225 0.76 KEAP1 (0.67) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL18157906 0.75 KMT2A (0.64) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL1160801 0.74 KEAP1 (1.00) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL19356896 0.74 KEAP1 (0.64) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL15885670 0.74 KEAP1 (0.64) KMT2AKEAP1SCN4ACYP19A1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US claimed
WO-2023230217-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 WO claimed
CN-114560867-B Oxygen bridge bicycloheptene sulfonate compound containing five-membered nitrogen heterocycle and application thereof in preparation of breast cancer resisting drugs 武汉大学 2023-06-06 CN claimed
CN-114560867-A Oxocycloheptene sulfonate compound containing five-membered nitrogen heterocycle and application thereof in preparation of anti-breast cancer drugs 武汉大学 2022-05-31 CN claimed
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP claimed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US claimed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 US claimed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 EP claimed
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US claimed
EP-2651901-B1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-05-27 EP claimed
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
CN-101137623-B N-sulphonylpyrroles and use thereof as histone deacetylase inhibitors NYCOMED GMBH 2013-03-27 CN claimed
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
EP-1861365-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-05 EP claimed
WO-2006097474-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-09-21 WO claimed
CN-1391476-A Vasopressin agonist formulation and process AMERICAN CYANAMID CO (US) 2003-01-15 CN claimed
WO-2023230217-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 WO disclosed
EP-1861365-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-05 EP disclosed
WO-2006097474-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-09-21 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 (4 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-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 KMT2A 4620/4885KEAP1 2831/4885SCN4A 1498/4885
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES HDAC3, HDAC5, HDAC1 KMT2A 71/4885KEAP1 451/4885SCN4A 4739/4885
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 KMT2A 4267/4885KEAP1 262/4885SCN4A 4496/4885
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 KMT2A 4620/4885KEAP1 2831/4885SCN4A 1498/4885

“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.