SCHEMBL19219781

SCHEMBL19219781

CN1CCc2cccc(S(=O)(=O)Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.40
NOTUM Q6P988 1/20 0.40
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL19219780 0.80 NOTUM (0.66) NOTUMNPSR1LMNA
SCHEMBL7419415 0.75 LMNA (0.30) KMT2ALMNA
SCHEMBL3182267 0.74 ADRA2A (0.50) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL17545409 0.73 NOTUM (0.47) NOTUM
SCHEMBL18329546 0.73 MAOA (0.41) KMONOTUMADRA2ACYP2D6ADRA2B
SCHEMBL2625796 0.73 NOTUM (0.57) NOTUMADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL2625804 0.71 ALOX12 (0.50) KMONOTUMADRA2ACYP2D6ADRA2B
SCHEMBL10204221 0.70 KMO (0.40) KMONOTUMADRA2ACYP2D6ADRA2B
SCHEMBL10264825 0.70 DRD2 (0.44) KMONOTUMADRA2ACYP2D6ADRA2B
SCHEMBL27037017 0.70 POLB (0.46) KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-08-10 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 (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-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT KMO 924/4885NOTUM 581/4885ADRA2A 3542/4885

“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.