SCHEMBL7993400

SCHEMBL7993400

CC(=O)Nc1ccc(CNc2nccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.63
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
PTPN1 P18031 1/20 0.50
ADORA2A P29274 2/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.48
CYP2C19 P33261 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL15293582 0.87 KDM4E (0.52) AGERMEN1KMT2AKDM4EMAPT
SCHEMBL7993403 0.86 ADORA2A (0.67) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8004170 0.84 ADORA2A (0.68) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL15293583 0.83 SMN1; SMN2 (0.56) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL13555314 0.82 KDM4E (0.54) KDM4ELMNAALDH1A1SMN1; SMN2POLB
SCHEMBL171893 0.77 KDM4E (0.62) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL16603980 0.77 AGER (1.00) AGERMEN1KMT2AKDM4EMAPT
SCHEMBL115951 0.75
SCHEMBL28835090 0.75 AGER (0.58) AGERMEN1KMT2AKDM4EMAPT
SCHEMBL4602071 0.74 SMN1; SMN2 (0.58) MEN1KMT2AKDM4EMAPTALDH1A1

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
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 AGER 4826/4885MEN1 2329/4885KMT2A 3111/4885

“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.