SCHEMBL3483840

SCHEMBL3483840

NS(=O)(=O)c1nnc(-c2ccc(OCCCCl)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 8/20 0.45
CA2 P00918 8/20 0.45
CA12 O43570 5/20 0.45
CA9 Q16790 5/20 0.45
CA7 P43166 4/20 0.45
CA5A P35218 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
XIAP P98170 1/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
TP53 P04637 2/20 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
SCHEMBL3483079 0.95 RAB9A (0.47) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL3484060 0.88 CA1 (0.54) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL3483775 0.80 HDAC1 (0.48) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL3483730 0.79 RAB9A (0.43) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL3483727 0.79 RAB9A (0.43) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL3483720 0.78 HDAC1 (0.41) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL4036035 0.77 HDAC1 (0.43) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL3483445 0.75 HDAC1 (0.46) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL3484165 0.74 RAB9A (0.41) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL3483332 0.74 KDM4E (0.41) RAB9AMAPTLMNASMN1; SMN2KDM4E

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
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS RAB9A 972/4885MAPT 3993/4885LMNA 1792/4885

“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.