SCHEMBL6947506

SCHEMBL6947506

CC(=O)NCCNc1cccc[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6178258 0.80 MALT1 (0.51) CA12CA9TDP1
SCHEMBL7711293 0.78 SLC2A1 (0.49) L3MBTL1HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL11316710 0.76 HSD17B10 (0.45) L3MBTL1MAPK1CYP1A2HSD17B10ALOX15
SCHEMBL9297733 0.76 MTNR1A (0.45) MTNR1AMTNR1BL3MBTL1CYP1A2HSD17B10
SCHEMBL6860751 0.75 SLC2A1 (0.47) MAPK1HSD17B10ALDH1A1KDM4ETDP1
SCHEMBL852975 0.73 POLB (0.40) HSD17B10CLK4ALDH1A1TSHRKDM4E
SCHEMBL14182015 0.73 NPSR1 (0.38) L3MBTL1MAPK1CYP1A2CYP3A4ALDH1A1
SCHEMBL6963178 0.73 KMT2A (0.34) L3MBTL1CYP1A2ALDH1A1KDM4ETDP1
SCHEMBL6951347 0.73 CA12 (0.38) CA12CA4CA7CA9CA14
SCHEMBL6947512 0.73 TDP1 (0.36) ALDH1A1KDM4ETDP1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST CA12 1939/4885CA4 1870/4885CA7 1979/4885

“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.