SCHEMBL25307456

SCHEMBL25307456

COc1cc(N2CCN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
SIRT6 Q8N6T7 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TMEM97 Q5BJF2 15/20 0.48
SIGMAR1 Q99720 15/20 0.48
HRH1 P35367 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
HRH2 P25021 2/20 0.46
HTR2C P28335 2/20 0.46
HTR1E P28566 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL30497505 1.00 MAPT (0.50) MAPTSIRT6ALDH1A1LMNATMEM97
SCHEMBL25306595 0.88 MAPT (0.51) MAPTTMEM97SIGMAR1HRH1HRH3
SCHEMBL25260681 0.87 POLB (0.50) MAPTALDH1A1LMNA
SCHEMBL29059682 0.86 SIRT6 (0.57) MAPTSIRT6ALDH1A1LMNA
SCHEMBL25260697 0.86 TMEM97 (0.49) TMEM97SIGMAR1HRH1HRH3ADRA2A
SCHEMBL520097 0.84 MAPT (0.54) MAPTSIRT6ALDH1A1LMNATMEM97
SCHEMBL30497487 0.84 MAPT (0.50) MAPTSIRT6ALDH1A1LMNA
SCHEMBL26496161 0.84 MAPT (0.50) MAPTSIRT6ALDH1A1LMNA
SCHEMBL31700579 0.84 MAPT (0.53) MAPTSIRT6ALDH1A1LMNA
SCHEMBL25306620 0.83 POLB (0.50) MAPTALDH1A1

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-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H BIOTECH INC. (KR) 2023-10-12 US disclosed
US-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H BIOTECH INC. (KR) 2023-10-12 US disclosed
CN-116490184-A Compounds for inhibiting EGFR mutant cancers and pharmaceutical uses thereof J2H生物科技有限公司 2023-07-25 CN 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 3977/4885SIRT6 2644/4885ALDH1A1 2871/4885

“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.