SCHEMBL18508189

SCHEMBL18508189

COC[C@H](C)Nc1cc(Br)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
AAK1 Q2M2I8 3/20 0.39
HCAR3 P49019 2/20 0.39
HDAC1 Q13547 2/20 0.37
CYP2D6 P10635 1/20 0.33
HPGD P15428 2/20 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
SCHEMBL29719399 1.00 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1AAK1HCAR3
SCHEMBL18496294 1.00 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1AAK1HCAR3
SCHEMBL18496296 1.00 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1AAK1HCAR3
SCHEMBL16489552 0.81 NPC1 (0.41) ALDH1A1KDM4EHCAR3HDAC1CYP2D6
SCHEMBL19672450 0.81 NPC1 (0.41) ALDH1A1KDM4EHCAR3HDAC1CYP2D6
SCHEMBL18508246 0.81 KDM4E (0.41) ALDH1A1KDM4ETDP1HCAR3CYP2D6
SCHEMBL18508300 0.81 KDM4E (0.41) ALDH1A1KDM4ETDP1HCAR3CYP2D6
SCHEMBL8200994 0.78 HDAC1 (0.42) ALDH1A1KDM4EAAK1HDAC1
SCHEMBL29539178 0.78 HDAC1 (0.42) ALDH1A1KDM4EAAK1HDAC1
SCHEMBL4580624 0.78 KDM4E (0.39) ALDH1A1KDM4ETDP1AAK1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425481-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2024-12-26 US disclosed
US-11981657-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals EPIGENETIX, INC. (US) 2024-05-14 US disclosed
US-20230120413-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INSTITUTE (CA) 2023-04-20 US disclosed
US-11365186-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals EPIGENETIX, INC. (US) 2022-06-21 US disclosed
EP-3334719-B1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INST (CA) 2021-09-15 EP disclosed
EP-3334719-B1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INST (CA) 2021-09-15 EP disclosed
US-20210107893-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2021-04-15 US disclosed
US-10703740-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals NEOMED INSTITUTE (CA) 2020-07-07 US disclosed
US-20180237417-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2018-08-23 US disclosed
WO-2017024412-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INSTITUTE (CA) 2017-02-16 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 (7 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-11365186-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 ALDH1A1 1795/4885KDM4E 398/4885TDP1 845/4885
US-20230120413-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 ALDH1A1 1795/4885KDM4E 398/4885TDP1 845/4885
US-10703740-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 ALDH1A1 1795/4885KDM4E 398/4885TDP1 845/4885
US-11981657-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 ALDH1A1 1795/4885KDM4E 398/4885TDP1 845/4885
US-20240425481-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 ALDH1A1 1795/4885KDM4E 398/4885TDP1 845/4885
US-20210107893-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 ALDH1A1 1795/4885KDM4E 398/4885TDP1 845/4885
US-20180237417-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 ALDH1A1 1795/4885KDM4E 398/4885TDP1 845/4885

“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.