SCHEMBL4487682

SCHEMBL4487682

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 2/20 0.47
SLC16A3 O15427 1/20 0.46
RAD52 P43351 2/20 0.45
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 2/20 0.43
KDR P35968 2/20 0.43
HPGDS O60760 2/20 0.42
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 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
SCHEMBL4489575 0.94 MERTK (0.47) ALDH1A1SMN1; SMN2KDM4EHSD17B10SLC16A3
SCHEMBL4495043 0.90 SLC16A3 (0.46) ALDH1A1SMN1; SMN2KDM4EHSD17B10SLC16A3
SCHEMBL4498604 0.90 NUDT1 (0.46) ALDH1A1SMN1; SMN2KDM4EHSD17B10SLC16A3
SCHEMBL4478082 0.89 MEN1 (0.52) ALDH1A1SMN1; SMN2KDM4EHSD17B10SLC16A3
SCHEMBL4489484 0.89 TDP1 (0.50) ALDH1A1SMN1; SMN2KDM4EHSD17B10SLC16A3
SCHEMBL4481447 0.89 FERMT2 (0.45) ALDH1A1SMN1; SMN2KDM4EHSD17B10SLC16A3
SCHEMBL4491458 0.88 TERT (0.50) ALDH1A1SMN1; SMN2KDM4EHSD17B10RAD52
SCHEMBL4493667 0.88 SYK (0.46) ALDH1A1SMN1; SMN2KDM4EHSD17B10SLC16A3
SCHEMBL4495280 0.88 KMT2A (0.48) ALDH1A1SMN1; SMN2KDM4EHSD17B10SLC16A3
Hydrochloric Acid SCHEMBL4474209 0.87 POLB (0.50) ALDH1A1SMN1; SMN2KDM4EHSD17B10RAD52

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 ALDH1A1 3862/4885SMN1; SMN2 4328/4885KDM4E 1641/4885

“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.