SCHEMBL21740976

SCHEMBL21740976

O=C(CC1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
HIF1A Q16665 1/20 0.47
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL18997731 0.89 KDM4E (0.49) KDM4ETP53SMN1; SMN2NPC1LMNA
SCHEMBL21740988 0.86 KDM4E (0.51) KDM4ETP53SMN1; SMN2NPC1LMNA
SCHEMBL30484172 0.83 KDM4E (0.61) KDM4ETP53SMN1; SMN2NPC1LMNA
SCHEMBL25314369 0.83 KDM4E (0.61) KDM4ETP53SMN1; SMN2NPC1LMNA
SCHEMBL30484176 0.82 KDM4E (0.61) KDM4ETP53SMN1; SMN2NPC1LMNA
SCHEMBL18997720 0.82 KDM4E (0.61) KDM4ETP53SMN1; SMN2NPC1LMNA
SCHEMBL21901297 0.82 KDM4E (0.58) KDM4ETP53SMN1; SMN2NPC1LMNA
SCHEMBL18997699 0.82 KDM4E (0.59) KDM4ETP53SMN1; SMN2NPC1LMNA
SCHEMBL23222371 0.82 KDM4E (0.58) KDM4ETP53SMN1; SMN2NPC1LMNA
SCHEMBL23580007 0.81 KDM4E (0.51) KDM4ETP53SMN1; SMN2NPC1LMNA

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 KDM4E 4215/4885TP53 41/4885SMN1; SMN2 3555/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KDM4E 4215/4885TP53 41/4885SMN1; SMN2 3555/4885

“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.