SCHEMBL10066895

SCHEMBL10066895

CCC(C)CC(=O)Sc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GRM2 Q14416 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL10035712 1.00 LMNA (0.44) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL8230727 0.85 KMT2A (0.40) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL1607377 0.80 LMNA (0.51) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL8226641 0.78 EHMT2 (0.40) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL4120039 0.78 ALDH1A1 (0.50) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL535804 0.76 ALDH1A1 (0.49) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL19291465 0.76 ALDH1A1 (0.41) LMNASMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL2902840 0.75 LMNA (0.48) LMNASMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL2912510 0.74 LMNA (0.49) LMNASMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL419934 0.74 LMNA (0.52) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1

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-8119653-B2 Belactosin derivatives as therapeutic agents/biological probes and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-02-21 US disclosed
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-02-12 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-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS PSMB1, PSMB10, PBK LMNA 389/4885SMN1; SMN2 2293/4885HPGD 4106/4885

“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.