SCHEMBL2740945

SCHEMBL2740945

O=C(O)c1ccc(CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ PTK2B Q14289 2/20 0.48
▸ SLC25A1 P53007 1/20 0.47
▸ MAPT P10636 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MEN1 O00255 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ POLB P06746 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ PLA2G1B P04054 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ TSHR P16473 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
SCHEMBL13128921 0.89 MAPT (0.51) CRHBPCRHR2SMN1; SMN2MAPTKMT2A
SCHEMBL2740961 0.88 MEN1 (0.51) CRHBPCRHR2SMN1; SMN2PTK2BMAPT
SCHEMBL14160305 0.85 PTK2B (0.52) SMN1; SMN2PTK2BMAPTKMT2AKDM4E
SCHEMBL2740959 0.84 CRHBP (0.51) CRHBPCRHR2SMN1; SMN2PTK2BMAPT
SCHEMBL13128920 0.83 PTK2B (0.63) SMN1; SMN2PTK2BMAPTKMT2AKDM4E
SCHEMBL2740960 0.81 CRHBP (0.46) CRHBPCRHR2SMN1; SMN2MAPTKMT2A
SCHEMBL2740965 0.79 CRHBP (0.53) CRHBPCRHR2SMN1; SMN2PTK2BSLC25A1
SCHEMBL2740971 0.77 CRHBP (0.49) CRHBPCRHR2SMN1; SMN2PTK2BSLC25A1
SCHEMBL2740946 0.76 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2MAPTKMT2A
SCHEMBL2740973 0.76 MAPT (0.47) CRHBPCRHR2SMN1; SMN2PTK2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088772-B2 Sulfonamides and their use as a medicament THE GENETICS COMPANY, INC. (CH) 2012-01-03 — — US disclosed
US-8088772-B2 Sulfonamides and their use as a medicament THE GENETICS COMPANY, INC. (CH) 2012-01-03 — — US disclosed
US-20100249135-A1 SULFONAMIDES AND THEIR USE AS A MEDICAMENT THE GENETICS COMPANY, INC. (CH) 2010-09-30 — — US disclosed
US-20100249135-A1 SULFONAMIDES AND THEIR USE AS A MEDICAMENT THE GENETICS COMPANY, INC. (CH) 2010-09-30 — — US disclosed
WO-2008071398-A1 SULFONAMIDES AND THEIR USE AS A MEDICAMENT THE GENETICS COMPANY, INC. (CH) 2008-06-19 — — WO disclosed
EP-1932830-A1 Sulfonamides and their use as a medicament The Genetics Company, Inc. (CH) 2008-06-18 — — EP 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 (1 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-20100249135-A1 SULFONAMIDES AND THEIR USE AS A MEDICAMENT BCOR, CBR3, SULT1E1 CRHBP 2638/4885CRHR2 524/4885SMN1; SMN2 2187/4885

“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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