SCHEMBL6475286

SCHEMBL6475286

CC(=O)Nc1ccccc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
AURKA O14965 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CDK2 P24941 1/20 0.49
AURKB Q96GD4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
ATP4A P20648 1/20 0.40

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
SCHEMBL6476005 0.84 ATP4A (0.52) LMNASMN1; SMN2PKMALDH1A1KDM4E
Water SCHEMBL6481932 0.83 ATP4A (0.51) LMNASMN1; SMN2PKMALDH1A1KDM4E
Acetic Acid SCHEMBL10865542 0.80 KMT2A (0.39) LMNASMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL6374098 0.79 SMN1; SMN2 (0.38) LMNASMN1; SMN2PKMALDH1A1KDM4E
SCHEMBL10866312 0.77 PKM (0.44) LMNAAURKAAURKBSMN1; SMN2PKM
SCHEMBL9509195 0.77 ALDH1A1 (0.50) LMNASMN1; SMN2PKMALDH1A1KDM4E
SCHEMBL8063340 0.77 RAB9A (0.40) LMNASMN1; SMN2KDM4EPOLBKMT2A
SCHEMBL10479875 0.76 AURKA (0.40) LMNAAURKACDK1CCNB1CDK2
SCHEMBL6475609 0.76 ATP4A (0.50) SMN1; SMN2PKMALDH1A1KDM4ETP53
SCHEMBL7936354 0.76 RAB9A (0.45) LMNASMN1; SMN2ALDH1A1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 EP claimed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
WO-1995019347-A1 FUNCTIONALIZED MACROCYCLIC LIGANDS FOR IMAGING APPLICATIONS MALLINCKRODT MEDICAL, INC. (US) 1995-07-20 WO disclosed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 LMNA 2278/4885AURKA 1117/4885CDK1 2782/4885

“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.