SCHEMBL30242551

SCHEMBL30242551

COc1cc2c(cc1[N+](=O)[O-])C(=O)N(C)CC2

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ SIRT6 Q8N6T7 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 3/20 0.43
▸ BRD4 O60885 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 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
SCHEMBL2205991 1.00 MEN1 (0.69) MEN1KMT2ASIRT6GAASMN1; SMN2
SCHEMBL20214438 0.92 KMT2A (0.58) MEN1KMT2ASIRT6GAASMN1; SMN2
SCHEMBL2062118 0.87 KMT2A (0.58) MEN1KMT2ASIRT6SMN1; SMN2LMNA
SCHEMBL14993530 0.86 MEN1 (0.49) MEN1KMT2ASIRT6SMN1; SMN2LMNA
SCHEMBL29771861 0.85 MEN1 (0.52) MEN1KMT2ASIRT6GAASMN1; SMN2
SCHEMBL11923834 0.82 MEN1 (1.00) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL30883376 0.82 MEN1 (1.00) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL27156530 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1GRM5
SCHEMBL14993799 0.81 MEN1 (0.49) MEN1KMT2ASIRT6LMNARAB9A
SCHEMBL29771862 0.81 KMT2A (0.49) MEN1KMT2ASIRT6LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — US disclosed
CN-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 — — CN disclosed
CN-115916759-A Substituted quinazoline compound, preparation method, pharmaceutical composition and application thereof 南京红云生物科技有限公司 2023-04-04 — — CN disclosed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 — — CN 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 (1 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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 MEN1 1372/4885KMT2A 3733/4885SIRT6 2842/4885

“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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