SCHEMBL2298509

SCHEMBL2298509

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cccc4ccccc34)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
NR1I2 O75469 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
DEGS1 O15121 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ABCB1 P08183 1/20 0.41
HDAC1 Q13547 1/20 0.40
EDNRA P25101 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR2E1 Q9Y466 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL2295379 0.93 NR1H4 (0.47) NR1H4NR1I2MEN1KMT2ANPC1
SCHEMBL2294561 0.88 RAB9A (0.44) NR1I2MEN1KMT2ANPC1RAB9A
SCHEMBL2295816 0.87 RAB9A (0.45) NR1I2MEN1KMT2ANPC1RAB9A
SCHEMBL2295353 0.87 RAB9A (0.45) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2297649 0.87 NPC1 (0.42) NR1I2MEN1KMT2ANPC1RAB9A
SCHEMBL2295288 0.87 TP53 (0.45) NR1I2MEN1KMT2ANPC1RAB9A
SCHEMBL2295817 0.87 FADS1 (0.46) NR1I2MEN1KMT2ANPC1RAB9A
SCHEMBL2296926 0.87 KMT2A (0.49) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2296307 0.87 NPC1 (0.46) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2297485 0.86 KMT2A (0.47) MEN1KMT2ANPC1RAB9ALMNA

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 NR1H4 1165/4885NR1I2 1911/4885MEN1 2656/4885

“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.