SCHEMBL22725480

SCHEMBL22725480

COC(=O)Cc1ccc(NCC(C)(C)O)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 6/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29875607 0.86 LMNA (0.54) HCAR3MAPK1MAPTLMNAMEN1
SCHEMBL16412465 0.86 LMNA (0.54) HCAR3MAPK1MAPTLMNAMEN1
SCHEMBL22115089 0.83 HCAR3 (0.55) HCAR3MAPK1MAPTLMNAMEN1
SCHEMBL22725470 0.81 MAPT (0.56) HCAR3MAPTLMNAMEN1KMT2A
SCHEMBL3587344 0.81 KMT2A (0.56) MAPK1MAPTLMNAMEN1KMT2A
SCHEMBL21310771 0.79 GAA (0.58) MAPTLMNAALDH1A1RAB9APTGER4
SCHEMBL8132538 0.79 ALDH1A1 (0.44) MAPK1MAPTLMNAMEN1KMT2A
SCHEMBL22725406 0.79 KAT2B (0.58) HCAR3MAPTLMNAKAT2BALDH1A1
SCHEMBL22725438 0.79 KAT2B (0.43) HCAR3MAPK1MAPTKAT2BALDH1A1
SCHEMBL6261849 0.78 MAPT (0.46) HCAR3MAPK1MAPTLMNAMEN1

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 2 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

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 HCAR3 2535/4885MAPK1 214/4885MAPT 3785/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 HCAR3 2501/4885MAPK1 230/4885MAPT 3569/4885

“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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