SCHEMBL2298655

SCHEMBL2298655

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cccc(Br)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
NPC1 O15118 5/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
SMN1; SMN2 Q16637 6/20 0.45
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 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
SCHEMBL2298695 0.93 RAB9A (0.48) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL2294478 0.91 NPC1 (0.48) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2297005 0.90 MAPT (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2296333 0.90 NPC1 (0.41) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL5282260 0.89 MEN1 (0.48) RAB9ANPC1CASP3SMN1; SMN2TP53
SCHEMBL2296523 0.89 NPC1 (0.54) RAB9ANPC1TP53ALDH1A1L3MBTL1
SCHEMBL2294506 0.89 CBLB (0.42) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL2299812 0.87 NPC1 (0.45) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2296401 0.86 ITGB3 (0.45) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2299632 0.86 KCNK3 (0.51) RAB9AALDH1A1MAPTLMNAHTT

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 RAB9A 1893/4885NPC1 2770/4885CASP3 1385/4885

“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.