SCHEMBL21995505

SCHEMBL21995505

CCCCCCCCCCCC[S+]([O-])c1ncc(-c2ccc(N)nc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 3/20 0.38
MAP4K4 O95819 2/20 0.36
NPC1 O15118 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
LTA4H P09960 1/20 0.33
PDPK1 O15530 1/20 0.33
GSK3B P49841 1/20 0.33
MCHR1 Q99705 1/20 0.32

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
SCHEMBL31674529 1.00 RAB9A (0.40) RAB9AKDM4EMEN1KMT2AUSP2
SCHEMBL21995567 0.74 PIK3CD (0.48) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL31674513 0.74 PIK3CD (0.48) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL21995535 0.71 KDM4E (0.49) RAB9AKDM4EMEN1KMT2AUSP2
SCHEMBL1257460 0.67 PIK3CD (0.73) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL2823763 0.64 RAB9A (0.57) RAB9AKDM4EMEN1KMT2AUSP2
SCHEMBL9815169 0.63 CES2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KCNH2
SCHEMBL7329821 0.63 CES2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KCNH2
SCHEMBL17817574 0.63 CES2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KCNH2
SCHEMBL10357516 0.63 CES2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KCNH2

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
US-20250304558-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-10-02 US disclosed
US-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-12-30 US disclosed
EP-3887358-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY Otsuka Pharmaceutical Co., Ltd. (JP) 2021-10-06 EP disclosed
CN-113166076-A Heterocyclic compounds for the treatment of epilepsy 大塚制药株式会社 2021-07-23 CN disclosed
WO-2020111263-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-04 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 (2 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-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, SCN1B RAB9A 2321/4885KDM4E 779/4885MEN1 450/4885
US-20250304558-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, KCNH1 RAB9A 2152/4885KDM4E 1095/4885MEN1 402/4885

“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.