SCHEMBL24568809

SCHEMBL24568809

CN(C)Cc1nc2ccccc2cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 2/20 0.53
STAT3 P40763 1/20 0.53
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GLA P06280 2/20 0.42
ACHE P22303 1/20 0.42
PIK3CD O00329 2/20 0.39
PDK1 Q15118 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCF1 P14598 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
SCHEMBL24568817 0.85 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAASTAT3
SCHEMBL24568810 0.84 ALDH1A1 (0.47) KDM4EALDH1A1HPGDGAASTAT3
SCHEMBL24568818 0.83 ALDH1A1 (0.50) KDM4EALDH1A1HPGDGAASTAT3
SCHEMBL24568815 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAASTAT3
SCHEMBL17179261 0.80 ALDH1A1 (0.58) KDM4EALDH1A1HPGDGAASTAT3
SCHEMBL24568814 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAASTAT3
SCHEMBL24568822 0.79 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAASTAT3
SCHEMBL8878501 0.78 ALDH1A1 (0.55) KDM4EALDH1A1HPGDGAASTAT3
SCHEMBL570984 0.75 TLR8 (0.54) KDM4EALDH1A1HPGDGAASTAT3
Trimethylammonium SCHEMBL27933253 0.74 KDM4E (0.60) KDM4EALDH1A1HPGDGAASTAT3

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-11492340-B2 Heteroaromatic electrophiles and methods of using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-11-08 US disclosed
US-20220204472-A1 HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF OHIO STATE INNOVATION FOUNDATION 2022-06-30 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-11492340-B2 Heteroaromatic electrophiles and methods of using thereof ACHE, BCHE, CHAT KDM4E 3120/4885ALDH1A1 1025/4885HPGD 850/4885
US-20220204472-A1 HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF ACHE, BCHE, CHAT KDM4E 3120/4885ALDH1A1 1025/4885HPGD 850/4885

“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.