SCHEMBL3699656

SCHEMBL3699656

O=[N+]([O-])c1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1CCc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
KDM1A O60341 13/20 0.48
MAOA P21397 4/20 0.46
MEN1 O00255 4/20 0.44
POLB P06746 1/20 0.38

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
SCHEMBL3699659 0.94 KMT2A (0.47) KMT2AKDM1AMAOAMEN1POLB
SCHEMBL3606487 0.75 KMT2A (0.63) KMT2AKDM1AMAOAMEN1
SCHEMBL3699658 0.75 KDM1A (0.52) KMT2AKDM1AMAOAMEN1POLB
SCHEMBL3620828 0.70 KMT2A (0.71) KMT2AKDM1AMAOAMEN1POLB
Hydrochloric Acid SCHEMBL3620116 0.68 KMT2A (0.59) KMT2AKDM1AMAOAMEN1
SCHEMBL3610490 0.65 KMT2A (0.73) KMT2AKDM1AMAOAMEN1POLB
SCHEMBL3620152 0.65 KMT2A (1.00) KMT2AMEN1POLB
SCHEMBL3613532 0.64 CTPS1 (0.64) KMT2AKDM1AMEN1
SCHEMBL5911665 0.64 KDM1A (0.68) KMT2AKDM1AMAOAMEN1POLB
SCHEMBL3622331 0.63 KDM1A (0.58) KMT2AKDM1AMAOAMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 BIOVITRUM AB 2010-05-06 US disclosed
US-7618961-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2009-11-17 US disclosed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 US disclosed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 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 (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-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 KMT2A 3300/4885KDM1A 1361/4885MAOA 346/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 KMT2A 3769/4885KDM1A 1569/4885MAOA 652/4885

“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.