SCHEMBL30497487

SCHEMBL30497487

COc1cc(N2CCC(CN3CCC(CNC(=O)OCc4ccccc4)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
FAAH O00519 3/20 0.49
ACHE P22303 3/20 0.49
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SIRT6 Q8N6T7 2/20 0.45
BCHE P06276 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM4 P08173 3/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
HDAC3 O15379 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
SCHEMBL26496161 1.00 MAPT (0.50) MAPTFAAHACHEALDH1A1LMNA
SCHEMBL25304393 0.87 ALDH1A1 (0.54) MAPTFAAHACHEALDH1A1LMNA
SCHEMBL26496157 0.87 HTR4 (0.47) ACHECHRM2CHRM1CHRM4DRD2
SCHEMBL30497505 0.84 MAPT (0.50) MAPTALDH1A1LMNASIRT6
SCHEMBL25307456 0.84 MAPT (0.50) MAPTALDH1A1LMNASIRT6
SCHEMBL15511183 0.78 ALDH1A1 (0.60) MAPTALDH1A1LMNAPOLBSIRT6
SCHEMBL309810 0.78 ALDH1A1 (0.70) MAPTALDH1A1LMNASIRT6KMT2A
SCHEMBL29059855 0.77 ALDH1A1 (0.57) MAPTALDH1A1LMNAPOLBSIRT6
SCHEMBL29059682 0.77 SIRT6 (0.57) MAPTALDH1A1LMNASIRT6KMT2A
SCHEMBL519355 0.77 SIRT6 (0.72) MAPTALDH1A1LMNASIRT6KMT2A

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-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H BIOTECH INC. (KR) 2023-10-12 US disclosed
EP-4212522-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H Biotech Inc. (KR) 2023-07-19 EP 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-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF EGFR, KRAS, ERBB2 MAPT 3977/4885FAAH 4826/4885ACHE 4341/4885

“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.