SCHEMBL21774147

SCHEMBL21774147

Cc1csc(-c2ccc(C=O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ CYP2A6 P11509 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2E1 P05181 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2B6 P20813 1/20 0.47
▸ AOC3 Q16853 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ SREBF2 Q12772 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GLA P06280 1/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38

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
SCHEMBL8198560 0.84 CYP3A4 (0.60) MAPTCYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL7905176 0.82 CYP3A4 (0.58) MAPTCYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL23108298 0.80 CYP3A4 (0.50) MAPTCYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL12180534 0.79 RAB9A (0.59) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL3291047 0.78 MAPT (0.44) MAPTCYP2A6ALDH1A1KDM4ENPC1
SCHEMBL18725058 0.77 CYP3A4 (0.53) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL2092693 0.76 KDM4E (0.56) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL13680611 0.76 CYP3A4 (0.51) MAPTCYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL23367838 0.76 RAB9A (0.56) MAPTCYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL14438067 0.76 CYP3A4 (0.61) MAPTCYP2A6CYP3A4CYP2E1CYP2C9

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
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

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 MAPT 108/4885CYP2A6 2164/4885CYP3A4 1926/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS MAPT 108/4885CYP2A6 2164/4885CYP3A4 1926/4885

“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.

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