SCHEMBL7993403

SCHEMBL7993403

CCC(=O)Nc1ccc(CNc2nccs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.67
CYP2C19 P33261 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C9 P11712 1/20 0.52
KDM4E B2RXH2 3/20 0.51
RGS12 O14924 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
POLB P06746 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
SCHEMBL8004170 0.90 ADORA2A (0.68) ADORA2ACYP2C19MEN1KMT2ACYP2C9
SCHEMBL7993400 0.86 AGER (0.63) ADORA2ACYP2C19MEN1KMT2ACYP2C9
SCHEMBL13555314 0.83 KDM4E (0.54) ADORA2ACYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL15293582 0.82 KDM4E (0.52) ADORA2ACYP2C19MEN1KMT2ACYP2C9
SCHEMBL15293583 0.81 SMN1; SMN2 (0.56) CYP2C19MEN1KMT2ACYP2C9KDM4E
SCHEMBL175217 0.78 ADORA2A (0.68) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL1101958 0.77 MEN1 (0.75) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL27891199 0.77 ADORA2A (0.67) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL171893 0.75 KDM4E (0.62) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL11912010 0.74 MEN1 (0.70) MEN1KMT2AKDM4EALDH1A1SMN1; 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 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 ADORA2A 1815/4885CYP2C19 4313/4885MEN1 2329/4885

“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.