SCHEMBL1033299

SCHEMBL1033299

[c]1ccc(-c2nnco2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.63
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
TLR8 Q9NR97 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL17694561 0.84 NOTUM (0.78) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL2610163 0.81 NOTUM (0.75) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL9555 0.77 NOTUM (1.00) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL1500580 0.76 NOTUM (0.60) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL2670934 0.76 NOTUM (0.65) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL12254344 0.75 NOTUM (1.00) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL3537328 0.74 NOTUM (1.00) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL14814390 0.74 NOTUM (1.00) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL3685411 0.74 NOTUM (0.64) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL19356867 0.74 NOTUM (0.64) NOTUMKDM4EALDH1A1LMNATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2651901-B1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-05-27 EP claimed
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
EP-0595164-B1 4-heterocyclephenyl substituted dihydropyridines BAYER AG (DE) 1996-12-27 EP claimed
EP-0595164-A1 4-heterocyclephenyl substituted dihydropyridines BAYER AG (DE) 1994-05-04 EP claimed
EP-0034276-B1 PHENYLPIPERAZINE DERIVATIVES OF 1,3,4-OXADIAZOLYL PHENOLS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1983-11-09 EP claimed
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment 4SC AG (DE) 2023-06-29 US disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
US-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-05-20 US disclosed
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy 4SC AG (DE) 2021-04-22 US disclosed
EP-3781557-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-02-24 EP disclosed
WO-2006040182-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
US-20050234125-A1 Alpha-sulfonylamino-acetonitriles SYNGENTA CROP PROTECTION AG (CH) 2005-10-20 US disclosed
EP-1513802-A1 ALPHA-SULFONYLAMINO-ACETONITRILES Syngenta Participations AG (CH) 2005-03-16 EP disclosed
WO-2005021490-A2 N-SULFONYL-α-AMINO-ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-10 WO disclosed
WO-2004000797-A1 ALPHA-SULFONYLAMINO-ACETONITRILES SYNGENTA PARTICIPATIONS AG (CH) 2003-12-31 WO disclosed
US-4353904-A TREATMENT OF HYPERTONIA BASF AKTIENGESELLSCHAFT (DE) 1982-10-12 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 (6 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 NOTUM 4390/4885KDM4E 4794/4885ALDH1A1 2379/4885
US-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER HDAC8, TLR8, TLR7 NOTUM 3209/4885KDM4E 319/4885ALDH1A1 1191/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 NOTUM 4712/4885KDM4E 786/4885ALDH1A1 384/4885
US-20050234125-A1 Alpha-sulfonylamino-acetonitriles C3AR1, C1S, C5 NOTUM 3417/4885KDM4E 4400/4885ALDH1A1 3512/4885
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 NOTUM 4390/4885KDM4E 4794/4885ALDH1A1 2379/4885
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment HDAC1, HDAC3, HDAC11 NOTUM 4142/4885KDM4E 126/4885ALDH1A1 315/4885

“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.