SCHEMBL24827596

SCHEMBL24827596

COc1cc(CCNC(=O)C(C)C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
LMNA P02545 1/20 0.46
MTNR1A P48039 2/20 0.45
NQO2 P16083 1/20 0.45
MTNR1B P49286 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ACACB O00763 1/20 0.42
RECQL P46063 1/20 0.41
KCNB1 Q14721 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
SCHEMBL6951705 0.85 LOX (0.51) LOXLOXL2MTNR1AMTNR1BKDM4E
SCHEMBL19049441 0.85 MTNR1A (0.61) LOXLOXL2LMNAMTNR1AMTNR1B
SCHEMBL24827539 0.84 ALDH1A1 (0.47) LOXLOXL2MTNR1AMTNR1BKDM4E
SCHEMBL19002284 0.82 MTNR1A (0.53) LOXLOXL2MTNR1AMTNR1BACACB
SCHEMBL21740829 0.82 KMT2A (0.45) LOXLOXL2LMNAMTNR1AMTNR1B
SCHEMBL18997700 0.81 LOX (0.48) LOXLOXL2MTNR1AMTNR1BKDM4E
SCHEMBL18997636 0.80 LOX (0.47) LOXLOXL2MTNR1AMTNR1BKDM4E
SCHEMBL24943197 0.80 MTNR1A (0.46) MTNR1ANQO2MTNR1BKDM4EHSD17B10
SCHEMBL21591538 0.77 GSK3A (0.50) LOXLOXL2MTNR1AMTNR1BKDM4E
SCHEMBL10311726 0.76 KMT2A (0.57) LMNAKDM4EHSD17B10ALDH1A1CYP2D6

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-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 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-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS LOX 2465/4885LOXL2 1691/4885LMNA 3109/4885

“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.