SCHEMBL4560065

SCHEMBL4560065

COc1ccc(CNc2nc(NCc3ccc(CN4CCCC4)cc3)nc(NN3CC(=O)NC3=O)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.49
ACP1 P24666 1/20 0.46
GAA P10253 1/20 0.46
PTGIR P43119 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHKA P35790 1/20 0.40
FLT3 P36888 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCF1 P14598 1/20 0.39

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
SCHEMBL2733617 0.99 CLPP (0.49) CLPPACP1GAAPTGIRMEN1
SCHEMBL4559249 0.92 CLPP (0.46) CLPPGAAMEN1KMT2AACHE
SCHEMBL4561238 0.92 CLPP (0.46) CLPPACP1GAAMEN1KMT2A
SCHEMBL4559247 0.91 SMN1; SMN2 (0.53) CLPPACP1GAAKMT2ABACE1
SCHEMBL2733450 0.91 ALDH1A1 (0.45) CLPPGAAMEN1KMT2AALDH1A1
SCHEMBL2733597 0.89 PIK3CA (0.46) CLPPGAAMEN1KMT2AALDH1A1
SCHEMBL15283501 0.89 LTA4H (0.51) CLPPMEN1KMT2AHRH3MAPT
SCHEMBL2731214 0.87 RAB9A (0.45) CLPPGAAMEN1KMT2AALDH1A1
SCHEMBL4561029 0.86 ALDH1A1 (0.42) CLPPGAAMEN1KMT2AALDH1A1
SCHEMBL2727928 0.85 ALDH1A1 (0.41) CLPPGAAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632916-B1 NOVEL ANTI-CANCER AGENTS THE WALTER AND ELIZA HALL INST OF MEDICAL RES (AU) 2017-01-11 EP disclosed
US-20160145243-A1 Novel Anti-Cancer Agents THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2016-05-26 US disclosed
US-9221799-B2 Anti-cancer agents THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-12-29 US disclosed
US-20150045365-A1 Novel Anti-Cancer Agents WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-02-12 US disclosed
US-8835629-B2 Anti-cancer agents THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2014-09-16 US disclosed
US-20130261119-A1 Novel Anti-Cancer Agents THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2013-10-03 US disclosed
WO-2012054978-A1 NOVEL ANTI-CANCER AGENTS LUDWIG INSTITUTE FOR CANCER RESEARCH LIMITED (US) 2012-05-03 WO 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 (3 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-20150045365-A1 Novel Anti-Cancer Agents TP53, SLC10A1, HDAC6 CLPP 4788/4885ACP1 1827/4885GAA 765/4885
US-20130261119-A1 Novel Anti-Cancer Agents TP53, SLC10A1, ARFGAP1 CLPP 4737/4885ACP1 2180/4885GAA 1112/4885
US-20160145243-A1 Novel Anti-Cancer Agents TP53, SLC10A1, HDAC6 CLPP 4788/4885ACP1 1827/4885GAA 765/4885

“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.