SCHEMBL2295330

SCHEMBL2295330

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
L3MBTL1 Q9Y468 4/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.46
HTT P42858 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NR1I2 O75469 2/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
NSD2 O96028 1/20 0.41
BAZ1A Q9NRL2 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
SCHEMBL2299482 0.93 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1PKMPOLB
SCHEMBL2299928 0.91 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1PKMPOLB
SCHEMBL2291392 0.88 KMT2A (0.51) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL5292268 0.88 LMNA (0.49) ALDH1A1SMN1; SMN2L3MBTL1PKMPOLB
SCHEMBL2296407 0.86 MEN1 (0.50) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL2299666 0.86 KMT2A (0.48) SMN1; SMN2L3MBTL1KMT2AMEN1NPC1
SCHEMBL2291248 0.85 USP2 (0.51) ALDH1A1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL2299136 0.84 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL2294711 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1PKMPOLB
SCHEMBL5295207 0.84 FNTA (0.45) SMN1; SMN2POLBKMT2AMEN1NPC1

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 ALDH1A1 1381/4885SMN1; SMN2 2159/4885L3MBTL1 1292/4885

“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.