SCHEMBL680720

SCHEMBL680720

CS(=O)(=O)NC(=O)c1ccc(Oc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.58
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SCN3A Q9NY46 1/20 0.50
MAPT P10636 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
BCL2L1 Q07817 3/20 0.47
MCL1 Q07820 3/20 0.47
SMPD1 P17405 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL680963 0.89 HDAC3 (0.57) NPC1RAB9AKDM4EALDH1A1SCN3A
SCHEMBL365173 0.87 MAOB (0.61) NPC1RAB9AKDM4EALDH1A1SCN3A
SCHEMBL680509 0.86 SCN3A (0.50) NPC1RAB9AALDH1A1SCN3AMAPT
SCHEMBL16239959 0.84 KDM4E (0.71) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL679939 0.82 MEN1 (0.60) EZH2RAB9AALDH1A1SCN3ABCL2L1
Diethylamine SCHEMBL16239601 0.81 HDAC3 (0.58) NPC1RAB9AKDM4EALDH1A1SCN3A
SCHEMBL364237 0.80 BCL2L1 (0.72) NPC1RAB9AALDH1A1SCN3AMAPT
SCHEMBL679956 0.79 MAPK14 (0.55) EZH2RAB9AALDH1A1SCN3ABCL2L1
SCHEMBL680184 0.79 PTGS2 (0.53) RAB9ASCN3ABCL2L1MCL1MEN1
SCHEMBL680159 0.78 CXCL8 (0.59) SCN3ABCL2L1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 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-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A EZH2 4401/4885NPC1 1918/4885RAB9A 968/4885

“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.