SCHEMBL21740829

SCHEMBL21740829

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL24827539 0.88 ALDH1A1 (0.47) KMT2AALDH1A1MAPTLOXLOXL2
SCHEMBL19002284 0.83 MTNR1A (0.53) LOXLOXL2MTNR1AMTNR1B
SCHEMBL24827596 0.82 LOX (0.48) KMT2AALDH1A1MAPTLMNALOX
SCHEMBL18997636 0.81 LOX (0.47) KMT2AALDH1A1LOXLOXL2MTNR1A
SCHEMBL19049441 0.80 MTNR1A (0.61) ALDH1A1MAPTLMNALOXLOXL2
SCHEMBL6951705 0.80 LOX (0.51) KMT2AALDH1A1LOXLOXL2MTNR1A
SCHEMBL30200289 0.79 KMT2A (0.69) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL18997700 0.77 LOX (0.48) ALDH1A1LOXLOXL2SMN1; SMN2MTNR1A
SCHEMBL19111001 0.77 AAK1 (0.50) KMT2AMAPTMEN1MTNR1B
SCHEMBL9103236 0.74 LOX (0.54) LOXLOXL2

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-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KMT2A 4024/4885ALDH1A1 3448/4885MAPT 4169/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885ALDH1A1 3448/4885MAPT 4169/4885

“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.