SCHEMBL29582002

SCHEMBL29582002

S=C(Nc1ccccc1)N1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
ALDH1A1 P00352 4/20 0.69
CYP1A2 P05177 2/20 0.69
MEN1 O00255 2/20 0.69
GLA P06280 1/20 0.69
CYP2C19 P33261 1/20 0.69
PKM P14618 1/20 0.65
MAPT P10636 3/20 0.63
POLB P06746 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ABCC1 P33527 1/20 0.61
MAPK1 P28482 1/20 0.58
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL14119792 0.87 ALDH1A1 (0.82) KMT2AALDH1A1CYP1A2MEN1GLA
SCHEMBL11179944 0.83 ALDH1A1 (0.96) KMT2AALDH1A1CYP1A2MEN1GLA
SCHEMBL16649940 0.83 RAB9A (0.71) KMT2AALDH1A1MEN1CYP2C19PKM
SCHEMBL6224072 0.83 TDP1 (0.71) KMT2AALDH1A1CYP1A2MEN1CYP2C19
SCHEMBL1651693 0.81 ALDH1A1 (1.00) KMT2AALDH1A1CYP1A2MEN1GLA
SCHEMBL656655 0.79 POLB (0.97) ALDH1A1CYP1A2GLACYP2C19MAPT
SCHEMBL19380432 0.79 MAPT (0.97) KMT2AALDH1A1CYP1A2MEN1GLA
SCHEMBL6803851 0.79 POLB (0.63) KMT2AALDH1A1CYP1A2MEN1GLA
SCHEMBL13902470 0.79 ALDH1A1 (0.70) KMT2AALDH1A1CYP1A2MEN1GLA
SCHEMBL7504156 0.77 POLB (0.93) ALDH1A1CYP1A2GLACYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 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 (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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 KMT2A 3378/4885ALDH1A1 4264/4885CYP1A2 3901/4885

“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.