SCHEMBL21774367

SCHEMBL21774367

O=Cc1ccc(-c2cccs2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
TNFRSF1A P19438 2/20 0.45
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
DPP4 P27487 1/20 0.40
EGFR P00533 1/20 0.39
CYP2A6 P11509 1/20 0.39
LTK P29376 1/20 0.36
CDK5 Q00535 1/20 0.36
MST1R Q04912 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PTGS1 P23219 1/20 0.36
MAOB P27338 1/20 0.36
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL29786888 1.00 ERN1 (0.47) ERN1TNFRSF1AALDH1A1SMN1; SMN2DPP4
SCHEMBL6040767 0.87 TNFRSF1A (0.58) ERN1TNFRSF1AALDH1A1SMN1; SMN2DPP4
SCHEMBL13037458 0.80 ERN1 (0.46) ERN1TNFRSF1AALDH1A1DPP4CYP2A6
SCHEMBL6852399 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CYP2A6KDM4ERAB9A
SCHEMBL4207045 0.77 MAPT (0.47) ERN1TNFRSF1AALDH1A1SMN1; SMN2KDM4E
SCHEMBL27858646 0.77 DPP4 (0.40) ERN1TNFRSF1AALDH1A1DPP4CYP2A6
SCHEMBL2782222 0.76 NPC1 (0.46) ERN1TNFRSF1AALDH1A1SMN1; SMN2CYP2A6
SCHEMBL27875008 0.75 DPP4 (0.39) ERN1TNFRSF1AALDH1A1DPP4CYP2A6
SCHEMBL29945114 0.75 KCNH2 (0.52) ERN1CYP2A6PDK2KDM4E
SCHEMBL6744197 0.75 KCNH2 (0.52) ERN1CYP2A6PDK2KDM4E

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
CN-112272670-B Di-ring derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-12 CN disclosed
CN-113613652-B Benzimidazole compounds and their use in the treatment of alzheimer's disease or huntington's disease 台湾卫生研究院 2022-08-23 CN disclosed
CN-113613652-A Benzimidazole compounds and their use for treating alzheimer's disease or huntington's disease 台湾卫生研究院 2021-11-05 CN disclosed
EP-3843724-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE National Health Research Institutes (TW) 2021-07-07 EP disclosed
CN-112272670-A Bicyclic derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-01-26 CN disclosed
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-10 US disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 WO disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 WO disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 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 (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-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE GLUL, GLS2, GLS ERN1 4218/4885TNFRSF1A 4635/4885ALDH1A1 925/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS ERN1 4218/4885TNFRSF1A 4635/4885ALDH1A1 925/4885

“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.