SCHEMBL2296265

SCHEMBL2296265

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)Cc3c[nH]cn3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 1/20 0.44
NR1I2 O75469 4/20 0.42
MEN1 O00255 1/20 0.40
NOTUM Q6P988 1/20 0.39
ROCK2 O75116 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GFER P55789 1/20 0.35
ADRA2B P18089 1/20 0.35
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2291392 0.86 KMT2A (0.51) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2297135 0.82 KMT2A (0.46) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2299814 0.81 LMNA (0.45) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5305129 0.81 NPC1 (0.49) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2295280 0.81 KMT2A (0.50) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5284614 0.81 NR1I2 (0.46) KMT2ARAB9ALMNANR1I2MEN1
SCHEMBL5295744 0.81 BCHE (0.46) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2296670 0.80 NR1I2 (0.47) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2296252 0.80 NR1I2 (0.47) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2297533 0.80 ITGB3 (0.50) KMT2ARAB9ANPC1SMN1; SMN2LMNA

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 KMT2A 3680/4885RAB9A 1893/4885NPC1 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.