SCHEMBL2292946

SCHEMBL2292946

CCOC(=O)CC(c1ccccc1)n1cnc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.49
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
NAMPT P43490 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
MGLL Q99685 1/20 0.39
ALOX15 P16050 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL12419759 0.89 SLC6A7 (0.55) SLC6A7HPGDMEN1KMT2AALDH1A1
SCHEMBL2295604 0.89 SLC6A7 (0.55) SLC6A7HPGDMEN1KMT2AALDH1A1
SCHEMBL2297233 0.80 HCAR3 (0.55) HPGDALDH1A1KDM4E
SCHEMBL2293615 0.76 RAB9A (0.45) MEN1KMT2AALDH1A1GAANAMPT
SCHEMBL2292935 0.75 ALDH1A1 (0.52) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL12380647 0.74 HSD17B10 (0.50) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL2296414 0.71 MAPT (0.44) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL2294150 0.71 NPC1 (0.48) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL11080932 0.70 SLC6A7 (0.85) SLC6A7MEN1KMT2AALDH1A1NAMPT
SCHEMBL2292529 0.69 ALDH1A1 (0.52) HPGDMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 SLC6A7 3793/4885HPGD 2856/4885MEN1 2656/4885

“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.