SCHEMBL104285

SCHEMBL104285

CC(C)CNC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.63
MLYCD O95822 1/20 0.63
NPSR1 Q6W5P4 1/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 1/20 0.59
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 3/20 0.55
LMNA P02545 3/20 0.55
ALOX12 P18054 2/20 0.54
KCNH2 Q12809 1/20 0.54
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
NAMPT P43490 1/20 0.49
ACACB O00763 1/20 0.49
HDAC4 P56524 1/20 0.48

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
SCHEMBL17865783 0.90 MLYCD (0.73) HPGDMLYCDNPSR1KMT2AGAA
SCHEMBL5940582 0.85 MLYCD (0.63) HPGDMLYCDNPSR1KMT2AGAA
SCHEMBL178516 0.83 MLYCD (0.65) HPGDMLYCDNPSR1KMT2AGAA
SCHEMBL104304 0.83 RAB9A (0.61) HPGDNPSR1KMT2ARAB9ASMN1; SMN2
SCHEMBL162726 0.83 MLYCD (0.65) HPGDMLYCDNPSR1KMT2AGAA
SCHEMBL20193690 0.82 RAB9A (0.52) HPGDMLYCDKMT2AGAARAB9A
SCHEMBL24609542 0.81 RAB9A (0.59) HPGDKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL3056083 0.81 MLYCD (0.63) HPGDMLYCDNPSR1KMT2AGAA
SCHEMBL889069 0.81 MLYCD (0.63) HPGDMLYCDNPSR1KMT2AGAA
SCHEMBL23665801 0.81 MLYCD (0.63) HPGDMLYCDNPSR1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 HPGD 4110/4885MLYCD 4206/4885NPSR1 550/4885
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MAP2K2, BRPF3, BRDT HPGD 2202/4885MLYCD 2974/4885NPSR1 4585/4885

“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.