SCHEMBL2297005

SCHEMBL2297005

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(Br)cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
TP53 P04637 4/20 0.46
CYP24A1 Q07973 1/20 0.45
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TRPV1 Q8NER1 1/20 0.41
IDO1 P14902 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
PABPC1 P11940 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL2294478 0.93 NPC1 (0.48) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2296419 0.92 NPC1 (0.49) MAPTSAE1UBA2KMT2AMEN1
SCHEMBL2299812 0.91 NPC1 (0.45) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2299394 0.91 F2 (0.44) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2298655 0.90 RAB9A (0.48) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL2296047 0.90 NPC1 (0.42) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2292564 0.90 NPC1 (0.51) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2297422 0.90 KMT2A (0.46) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2295384 0.89 KCNK3 (0.46) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL5282260 0.89 MEN1 (0.48) MAPTKMT2AMEN1TP53RAB9A

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 2 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
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US 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 4745/4885SAE1 3161/4885UBA2 4244/4885

“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.