SCHEMBL1879475

SCHEMBL1879475

O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50

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
SCHEMBL28045965 0.89 KDM4E (0.61) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL20271516 0.86 SMN1; SMN2 (0.73) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL5723140 0.86 SMN1; SMN2 (0.68) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL15225951 0.84 SMN1; SMN2 (0.71) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL23093557 0.82 CA1 (0.54) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL27221141 0.82 MEN1 (0.53) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL6191704 0.80 SMN1; SMN2 (0.58) MEN1KMT2ATDP1KDM4ERECQL
SCHEMBL14538236 0.80 ALDH1A1 (0.71) MEN1KMT2AKDM4ERECQLSMN1; SMN2
SCHEMBL29764465 0.80 KDM4E (0.58) MEN1KMT2ATDP1KDM4ERECQL
SCHEMBL24762156 0.80 MAPK1 (0.71) KMT2ATDP1KDM4ERECQLSMN1; SMN2

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-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 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 (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-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN MEN1 2032/4885KMT2A 848/4885POLB 4090/4885

“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.