SCHEMBL6178457

SCHEMBL6178457

CNc1cccnc1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.39
RRM2 P31350 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
GCK P35557 1/20 0.36
CXCR4 P61073 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
RIPK1 Q13546 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK10 P53779 1/20 0.34
GFER P55789 1/20 0.34
ATM Q13315 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL9228907 0.85 L3MBTL1 (0.53) ALDH1A1L3MBTL1HSD17B10RRM2NCOA1
SCHEMBL25883297 0.79 ALDH1A1 (0.35) ALDH1A1L3MBTL1RRM2NCOA1NCOA3
SCHEMBL11489377 0.79 RRM2 (0.37) ALDH1A1L3MBTL1HSD17B10RRM2NCOA1
SCHEMBL21730317 0.77 CYP2A6 (0.41) ALDH1A1L3MBTL1HSD17B10RRM2NCOA1
SCHEMBL21722629 0.77 AOC1 (0.43) ALDH1A1L3MBTL1HSD17B10RRM2NCOA1
SCHEMBL29907676 0.77 AOC1 (0.43) ALDH1A1L3MBTL1HSD17B10RRM2NCOA1
SCHEMBL4038818 0.75 ALDH1A1 (0.45) ALDH1A1L3MBTL1HSD17B10CXCR4KDM4E
SCHEMBL30391719 0.75 ALDH1A1 (0.45) ALDH1A1L3MBTL1HSD17B10CXCR4KDM4E
SCHEMBL27498842 0.74 BACE1 (0.45) ALDH1A1L3MBTL1HSD17B10KDM4EPOLB
SCHEMBL31308700 0.72 ALDH1A1 (0.69) ALDH1A1L3MBTL1HSD17B10CXCR4KDM4E

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
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
CN-1299282-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2001-06-13 CN disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR ALDH1A1 2759/4885L3MBTL1 4658/4885HSD17B10 3157/4885

“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.