SCHEMBL21647682

SCHEMBL21647682

OC(CCc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
SLC18A3 Q16572 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACP3 P15309 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL21647854 0.84 SIGMAR1 (0.48) SIGMAR1SLC18A3ACP3IDO1TDO2
SCHEMBL17295945 0.84 SIGMAR1 (0.48) SIGMAR1SLC18A3ACP3IDO1TDO2
SCHEMBL23440885 0.84 SIGMAR1 (0.48) SIGMAR1SLC18A3ACP3IDO1TDO2
SCHEMBL5835025 0.82 PPARG (0.54) ACP3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL477470 0.82 PPARG (0.54) ACP3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL499868 0.82 PPARG (0.54) ACP3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL499451 0.81 HIF1A (0.51) RAB9ASLC6A3KDM4E
SCHEMBL7871790 0.81 HIF1A (0.51) RAB9ASLC6A3KDM4E
SCHEMBL27987619 0.81 FOLH1 (0.45) SIGMAR1SLC18A3KDM4ETAAR1
SCHEMBL30849678 0.81 PPARG (0.51) ACP3SLC6A2SLC6A4SLC6A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188023-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2025-06-12 US disclosed
US-12258308-B2 Benzene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2025-03-25 US disclosed
CN-112513011-B Benzene derivatives 小野药品工业株式会社 2023-06-16 CN disclosed
US-20220089532-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-03-24 US disclosed
US-20210332009-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 US disclosed
EP-3831810-A1 BENZENE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2021-06-09 EP disclosed
CN-112513011-A Benzene derivatives 小野药品工业株式会社 2021-03-16 CN disclosed
WO-2020027150-A1 BENZENE DERIVATIVE 小野薬品工業株式会社 2020-02-06 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 (4 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-12258308-B2 Benzene derivative PMP22, TMBIM6, MYT1 SIGMAR1 4136/4885SLC18A3 3793/4885NPC1 2638/4885
US-20250188023-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 SIGMAR1 4128/4885SLC18A3 3788/4885NPC1 2623/4885
US-20210332009-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 SIGMAR1 4136/4885SLC18A3 3793/4885NPC1 2638/4885
US-20220089532-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 SIGMAR1 4136/4885SLC18A3 3793/4885NPC1 2638/4885

“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.