SCHEMBL2299482

SCHEMBL2299482

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 4/20 0.51
PKM P14618 1/20 0.51
POLB P06746 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.42
NSD2 O96028 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
BAZ1A Q9NRL2 1/20 0.41
NAMPT P43490 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GAA P10253 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
SCHEMBL2295330 0.93 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1PKMPOLB
SCHEMBL2294711 0.91 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1PKMPOLB
SCHEMBL2294482 0.88 NAMPT (0.48) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL2294002 0.86 MEN1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1PKMPOLB
SCHEMBL2295665 0.86 PSEN1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1PKMMEN1
SCHEMBL2294905 0.85 USP2 (0.51) ALDH1A1SMN1; SMN2L3MBTL1POLBMEN1
SCHEMBL2299928 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1PKMPOLB
SCHEMBL2295180 0.84 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2L3MBTL1PKMHTT
SCHEMBL5291502 0.83 BCHE (0.46) SMN1; SMN2KMT2ANPC1RAB9ANAMPT
SCHEMBL2298594 0.83 KMT2A (0.46) ALDH1A1PKMMEN1KMT2ANPC1

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 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.