SCHEMBL21774281

SCHEMBL21774281

O=Cc1ccc(-c2ccc(I)s2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B1 P14061 5/20 0.32
HSD17B2 P37059 5/20 0.32
ALDH1A3 P47895 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 1/20 0.32
RAB9A P51151 1/20 0.32
KIF11 P52732 1/20 0.31
CYP2A6 P11509 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL29786931 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2EGFRESR1ESR2
SCHEMBL21793428 0.81 EGFR (0.43) ALDH1A1SMN1; SMN2EGFRESR1ESR2
SCHEMBL21774250 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2EGFRESR1ESR2
SCHEMBL21774350 0.78 EGFR (0.39) ALDH1A1SMN1; SMN2EGFRESR1ESR2
SCHEMBL29786785 0.78 EGFR (0.39) ALDH1A1SMN1; SMN2EGFRESR1ESR2
SCHEMBL6852399 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ALDH1A3KDM4EPTGS2
SCHEMBL29786888 0.72 ERN1 (0.47) ALDH1A1SMN1; SMN2EGFRKDM4ERAB9A
SCHEMBL21774367 0.72 ERN1 (0.47) ALDH1A1SMN1; SMN2EGFRKDM4ERAB9A
SCHEMBL4841994 0.72 CYP2A6 (0.37) ALDH1A1ESR1ESR2ALDH1A3KDM4E
SCHEMBL8594827 0.71 ERN1 (0.54) ALDH1A1SMN1; SMN2EGFRHSD17B1HSD17B2

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
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
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 ALDH1A1 925/4885SMN1; SMN2 1261/4885EGFR 3299/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS ALDH1A1 925/4885SMN1; SMN2 1261/4885EGFR 3299/4885

“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.