SCHEMBL830501

SCHEMBL830501

CN(C(=O)O)c1nc2cc(S(=O)(=O)Cl)ccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHEK2 O96017 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NPBWR1 P48145 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL544668 0.79 SMAD3 (0.41) POLBHTT
SCHEMBL11096785 0.77 TDP1 (0.35) KDM4EPOLBSMN1; SMN2TDP1HTT
SCHEMBL5035909 0.76 L3MBTL1 (0.35) POLBSMN1; SMN2TDP1HTTLMNA
SCHEMBL10925744 0.74 POLB (0.34) KDM4EPOLBSMN1; SMN2TDP1LMNA
SCHEMBL10811492 0.74 MEN1 (0.40) KDM4EPOLBSMN1; SMN2TDP1HTT
SCHEMBL5041026 0.74 MEN1 (0.37) KDM4ESMN1; SMN2TDP1HTTLMNA
SCHEMBL19465758 0.74 ALDH1A1 (0.35) KDM4ETDP1LMNAALDH1A1CHEK2
SCHEMBL251109 0.74 LMNA (0.53) KDM4EPOLBSMN1; SMN2TDP1HTT
SCHEMBL4279399 0.74 HPGD (0.51) KDM4EPOLBSMN1; SMN2HTTLMNA
SCHEMBL11842748 0.73 CHEK2 (0.41) LMNACHEK2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143421-B2 Broadspectrum substituted benzimidazole sulfonamide HIV protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-03-27 US disclosed
EP-1485358-B1 BROADSPECTRUM SUBSTITUTED BENZIMIDAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARM LTD (IE) 2011-02-02 EP disclosed
US-20090203743-A1 SMALL MOLECULE ENTRY INHIBITORS SURLERAUX DOMINIQUE LOUIS 2009-08-13 US disclosed
US-20050171175-A1 Broadspectrum substituted benzimidazole sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD (IE) 2005-08-04 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 (2 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-20090203743-A1 SMALL MOLECULE ENTRY INHIBITORS NR0B1, LTC4S, LTB4R KDM4E 3667/4885POLB 3410/4885SMN1; SMN2 4490/4885
US-20050171175-A1 Broadspectrum substituted benzimidazole sulfonamide hiv protease inhibitors CYP2S1, CYP2C8, PRSS8 KDM4E 3756/4885POLB 2712/4885SMN1; SMN2 4368/4885

“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.