SCHEMBL4487199

SCHEMBL4487199

COc1ccc2cc(C(=O)O)c(NCCCCN)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
SLC16A3 O15427 1/20 0.43
SYK P43405 4/20 0.43
KDM4E B2RXH2 3/20 0.41
POLB P06746 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL4493667 0.96 SYK (0.46) BRD4ALDH1A1MEN1KMT2ASLC16A3
SCHEMBL4481447 0.93 FERMT2 (0.45) BRD4ALDH1A1MEN1KMT2ASLC16A3
SCHEMBL4489575 0.88 MERTK (0.47) BRD4ALDH1A1MEN1KMT2ATP53
SCHEMBL4495280 0.87 KMT2A (0.48) BRD4ALDH1A1MEN1KMT2ASLC16A3
SCHEMBL4495043 0.87 SLC16A3 (0.46) ALDH1A1MEN1KMT2ASLC16A3KDM4E
SCHEMBL4487682 0.87 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHTTSLC16A3
SCHEMBL4489484 0.86 TDP1 (0.50) ALDH1A1MEN1KMT2AHTTSLC16A3
SCHEMBL4478082 0.86 MEN1 (0.52) BRD4ALDH1A1MEN1KMT2ASLC16A3
SCHEMBL4491458 0.85 TERT (0.50) BRD4ALDH1A1MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL4474209 0.84 POLB (0.50) ALDH1A1MEN1KMT2ATP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US claimed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP claimed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US claimed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP claimed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO claimed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP disclosed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US disclosed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP disclosed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20060106058-A1 Chemical compounds YARS1, DAPK3, NEK3 BRD4 336/4885ALDH1A1 3862/4885MEN1 2541/4885

“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.