SCHEMBL21310771

SCHEMBL21310771

COC(=O)Cc1ccc(NCC(C)(C)O)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ GFER P55789 2/20 0.58
▸ MAPT P10636 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ PTGER4 P35408 3/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ CHEK1 O14757 1/20 0.36

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
SCHEMBL24371124 0.84 GAA (0.67) GAAALDH1A1GFERMAPTHPGD
SCHEMBL21311033 0.79 GAA (0.41) GAAALDH1A1GFERMAPTHPGD
SCHEMBL22725480 0.79 HCAR3 (0.44) GAAALDH1A1GFERMAPTKDM4E
SCHEMBL21310995 0.79 GAA (0.57) GAAALDH1A1GFERMAPTHPGD
SCHEMBL6100182 0.78 GAA (0.63) GAAALDH1A1GFERMAPTHPGD
SCHEMBL7237331 0.77 ALDH1A1 (0.75) GAAALDH1A1GFERMAPTHPGD
SCHEMBL30565426 0.77 ALDH1A1 (0.75) GAAALDH1A1GFERMAPTHPGD
SCHEMBL3246386 0.77 ALDH1A1 (0.65) GAAALDH1A1GFERMAPTHPGD
SCHEMBL21310896 0.75 PRKCI (0.64) GAAALDH1A1GFERMAPTHPGD
SCHEMBL24321539 0.75 ALDH1A1 (0.51) GAAALDH1A1GFERMAPTCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 — — US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 — — US disclosed
WO-2019162323-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-29 — — 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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 GAA 896/4885ALDH1A1 1321/4885GFER 4265/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 GAA 893/4885ALDH1A1 1274/4885GFER 4205/4885

“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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