SCHEMBL2296047

SCHEMBL2296047

Nc1ccc(C(=O)Nc2ccc3ncn(C(CC(=O)O)c4ccccc4)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
PLAU P00749 1/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 2/20 0.40
DNMT1 P26358 1/20 0.39
PABPC1 P11940 1/20 0.39
ADORA2A P29274 1/20 0.39
PRMT1 Q99873 2/20 0.38
SETD7 Q8WTS6 1/20 0.38
ACSS2 Q9NR19 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
SCHEMBL2294478 0.93 NPC1 (0.48) NPC1RAB9APLAUMEN1KMT2A
SCHEMBL2299737 0.92 NPC1 (0.49) NPC1RAB9APLAUMEN1POLB
SCHEMBL2299394 0.91 F2 (0.44) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL2299812 0.91 NPC1 (0.45) NPC1RAB9APLAUMEN1KMT2A
SCHEMBL2294506 0.90 CBLB (0.42) NPC1RAB9APLAUMEN1KMT2A
SCHEMBL2292564 0.90 NPC1 (0.51) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL2297422 0.90 KMT2A (0.46) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL2297005 0.90 MAPT (0.49) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2300721 0.90 F10 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2295384 0.89 KCNK3 (0.46) NPC1RAB9AMEN1POLBKMT2A

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 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
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO 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 NPC1 2770/4885RAB9A 1893/4885PLAU 494/4885

“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.