SCHEMBL21995602

SCHEMBL21995602

COc1nc(Oc2ccccc2)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.43
CYP1A2 P05177 11/20 0.43
CYP2C19 P33261 6/20 0.43
GAA P10253 3/20 0.42
CYP3A4 P08684 9/20 0.42
USP2 O75604 7/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 4/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL22534771 0.81 CASP1 (0.44) ALDH1A1CYP1A2CYP2C19GAACYP3A4
SCHEMBL322170 0.79 GAA (0.53) ALDH1A1CYP1A2GAAKMT2AMEN1
SCHEMBL29693602 0.79 GAA (0.53) ALDH1A1CYP1A2GAAKMT2AMEN1
SCHEMBL22534783 0.75 PIN1 (0.59) ALDH1A1CYP1A2CYP2C19CYP3A4USP2
SCHEMBL5764707 0.74 ALDH1A1 (0.50) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL6726278 0.73 SMN1; SMN2 (0.47) ALDH1A1CYP1A2CYP2C19GAACYP3A4
SCHEMBL1697636 0.73 GAA (0.47) CYP1A2GAAKMT2AMEN1TSHR
SCHEMBL24155618 0.72 LIPE (0.38) ALDH1A1CYP1A2CYP2C19GAACYP3A4
SCHEMBL2313930 0.71 MEN1 (0.55) ALDH1A1CYP1A2CYP2C19GAAKMT2A
SCHEMBL15228558 0.71 PIM1 (0.45) ALDH1A1CYP1A2CYP2C19GAACYP3A4

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 6 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-12391674-B2 Heterocyclic compounds for the treatment of epilepsy OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-08-19 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 (3 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-12391674-B2 Heterocyclic compounds for the treatment of epilepsy SLC6A11, SCN1A, SCN1B ALDH1A1 288/4885CYP1A2 203/4885CYP2C19 227/4885
US-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, SCN1B ALDH1A1 288/4885CYP1A2 203/4885CYP2C19 227/4885
US-20250304558-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, KCNH1 ALDH1A1 460/4885CYP1A2 181/4885CYP2C19 193/4885

“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.