SCHEMBL5828129

SCHEMBL5828129

CCOC(=O)c1ccc2cc(-c3cc(Br)c4c(c3)OCO4)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.49
SIRT1 Q96EB6 3/20 0.49
SIRT3 Q9NTG7 2/20 0.49
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKCI P41743 1/20 0.41
PRKCZ Q05513 1/20 0.41

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
SCHEMBL5827808 0.85 SIRT2 (0.64) SIRT2SIRT1SIRT3HSD17B10KDM4E
SCHEMBL31480901 0.80 RAB9A (0.50) SIRT2SIRT1SIRT3HSD17B10KDM4E
SCHEMBL4027801 0.78 RAB9A (0.57) SIRT2SIRT1SIRT3HSD17B10KDM4E
SCHEMBL2995600 0.75 MAPT (0.67) SIRT2SIRT1SIRT3HSD17B10KDM4E
SCHEMBL5827711 0.74 PDCD1 (0.38) RAB9ANPC1ALDH1A1
SCHEMBL707407 0.72 CA12 (0.67) KDM4ESMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL5828261 0.72 ALDH1A1 (0.45) SIRT1HSD17B10ALDH1A1
SCHEMBL29394052 0.71 RAB9A (0.73) SIRT2SIRT1SIRT3HSD17B10KDM4E
SCHEMBL1640023 0.71 RAB9A (0.73) SIRT2SIRT1SIRT3HSD17B10KDM4E
SCHEMBL4079402 0.70 CA12 (0.56) SIRT2SMN1; SMN2MAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153875-B2 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE SAN DIEGO (US) 2006-12-26 US disclosed
EP-1385465-A4 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES INCYTE SAN DIEGO INC (US) 2005-09-07 EP disclosed
EP-1385465-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES Incyte San Diego, Inc. (US) 2004-02-04 EP disclosed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US disclosed
WO-2002072009-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 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 (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-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases CCNY, HRAS, AHR SIRT2 3053/4885SIRT1 3400/4885SIRT3 2559/4885

“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.