SCHEMBL30871973

SCHEMBL30871973

COc1cc(N(C)CCN(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.45
SIRT6 Q8N6T7 1/20 0.43
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
BACE1 P56817 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
CHEK1 O14757 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL16003471 1.00 ALDH1A1 (0.45) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL3719769 0.87 ALDH1A1 (0.52) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL3312562 0.85 SMN1; SMN2 (0.47) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL3314688 0.85 LMNA (0.42) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL16003397 0.84 MAPT (0.38) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL3311685 0.83 LMNA (0.41) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL23653979 0.83 ALDH1A1 (0.40) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL15994474 0.82 ALDH1A1 (0.40) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL222267 0.82 MAPT (0.62) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL15994627 0.81 ALDH1A1 (0.53) ALDH1A1LMNASIRT6MAPTSMN1; SMN2

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-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2024-12-12 US disclosed
CN-111825658-B EGFR three-mutation inhibitor and application thereof 华东理工大学 2024-11-08 CN disclosed
CN-117794914-A Pyrimidine-2, 4-diamine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-03-29 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-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 3648/4885TDP1 2063/4885LMNA 3678/4885

“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.