SCHEMBL2297135

SCHEMBL2297135

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
WNT3A P56704 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR1I2 O75469 2/20 0.46
PKM P14618 1/20 0.44
ROCK2 O75116 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RORC P51449 1/20 0.41
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
NAMPT P43490 1/20 0.41

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 0.94 KMT2A (0.51) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL2298594 0.92 KMT2A (0.46) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL5305129 0.91 NPC1 (0.49) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL2299814 0.91 LMNA (0.45) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL2297605 0.89 SMN1; SMN2 (0.52) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL5295744 0.89 BCHE (0.46) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL2299928 0.88 ALDH1A1 (0.47) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL2296016 0.86 NPC1 (0.50) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL2294482 0.86 NAMPT (0.48) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL5281598 0.86 GAA (0.46) KMT2AMEN1NPC1RAB9ALMNA

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 3680/4885MEN1 2656/4885NPC1 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.