SCHEMBL2292306

SCHEMBL2292306

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)C#Cc3ccccc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
VCP P55072 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
NLRP3 Q96P20 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
NOTUM Q6P988 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
BACE1 P56817 1/20 0.34
BAZ1A Q9NRL2 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FFAR1 O14842 1/20 0.33
HTT P42858 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
SCHEMBL5302753 0.92 GFER (0.42) GFERVCPNPC1RAB9AKMT2A
SCHEMBL2292578 0.85 KDM4E (0.44) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2294191 0.84 NPC1 (0.38) NPC1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL2292264 0.83 NPC1 (0.44) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2294478 0.83 NPC1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2294482 0.81 NAMPT (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2293477 0.81 HPSE (0.44)
SCHEMBL2294898 0.80 NPC1 (0.47) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2299723 0.80 GRM4 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL5302818 0.80 NAMPT (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 GFER 4380/4885VCP 4491/4885NPC1 2770/4885

“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.