SCHEMBL21774307

SCHEMBL21774307

O=Cc1ccc(-c2ccc(Cl)s2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.42
ERN1 O75460 3/20 0.42
HSD17B1 P14061 8/20 0.41
HSD17B2 P37059 7/20 0.41
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 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
SCHEMBL21774261 0.81 ERN1 (0.42) ERN1HSD17B1HSD17B2CYP3A4CYP2D6
SCHEMBL21793283 0.81 ERN1 (0.49) PGRERN1HSD17B1HSD17B2CYP3A4
SCHEMBL13225418 0.81 PGR (0.42) PGRERN1HSD17B1HSD17B2CYP2A6
SCHEMBL21774309 0.80 ERN1 (0.40) PGRERN1HSD17B1HSD17B2ERCC5
SCHEMBL21774142 0.79 QPCT (0.41) ERN1HSD17B1HSD17B2FEN1CYP3A4
SCHEMBL6637926 0.77 ERN1 (0.56) ERN1HSD17B1HSD17B2
SCHEMBL13438461 0.77 PGR (0.46) PGRERN1HSD17B1HSD17B2
SCHEMBL13249369 0.77 HSD17B1 (0.41) PGRERN1HSD17B1HSD17B2CYP2A6
SCHEMBL4552823 0.74 TDP1 (0.48) ERN1
SCHEMBL29828302 0.73 ERN1 (0.46) ERN1

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
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
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
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
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

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 PGR 3672/4885ERN1 4218/4885HSD17B1 1377/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS PGR 3672/4885ERN1 4218/4885HSD17B1 1377/4885

“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.