SCHEMBL2299591

SCHEMBL2299591

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(Br)o3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
KMT2A Q03164 9/20 0.52
MEN1 O00255 8/20 0.52
ALDH1A1 P00352 8/20 0.52
TSHR P16473 5/20 0.52
KDM4E B2RXH2 5/20 0.52
POLB P06746 4/20 0.52
TP53 P04637 4/20 0.52
HSD17B10 Q99714 3/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
RAB9A P51151 8/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 7/20 0.46
LMNA P02545 6/20 0.46
HPGD P15428 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2295834 0.93 MAPT (0.52) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL2294478 0.84 NPC1 (0.48) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2293492 0.84 NPC1 (0.41) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL2297005 0.84 MAPT (0.49) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2298688 0.84 NPC1 (0.48) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2292514 0.82 RAB9A (0.47) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2294562 0.82 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2298655 0.82 RAB9A (0.48) MAPTALDH1A1KDM4ETP53RAB9A
SCHEMBL2299723 0.82 GRM4 (0.48) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5284873 0.81 GAA (0.37) KMT2AMEN1TSHRRAB9ANPC1

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 4 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 claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed

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 MAPT 4745/4885KMT2A 3680/4885MEN1 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.