SCHEMBL5300707

SCHEMBL5300707

O=C(O)C[C@H](c1ccccc1)n1cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
PKM P14618 1/20 0.51
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
RECQL P46063 1/20 0.47
FGFR1 P11362 1/20 0.44
HPGD P15428 2/20 0.43
MAPT P10636 3/20 0.43
BRD4 O60885 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
AHR P35869 1/20 0.40
RAB9A P51151 1/20 0.40
CASP6 P55212 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2293425 1.00 ALDH1A1 (0.53) ALDH1A1PKMKMT2AMEN1RECQL
SCHEMBL2299828 0.94 ALDH1A1 (0.49) ALDH1A1PKMKMT2AMEN1RECQL
SCHEMBL2298522 0.90 ALDH1A1 (0.47) ALDH1A1PKMKMT2AMEN1RECQL
SCHEMBL2297140 0.90 ALDH1A1 (0.45) ALDH1A1PKMKMT2AMEN1RECQL
SCHEMBL2292926 0.88 ALDH1A1 (0.48) ALDH1A1PKMKMT2AMEN1RECQL
SCHEMBL2295278 0.87 MEN1 (0.45) ALDH1A1PKMKMT2AMEN1RECQL
SCHEMBL5295207 0.87 FNTA (0.45) KMT2AMEN1LMNAPOLBRAB9A
SCHEMBL2295718 0.85 KMT2A (0.48) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL5305863 0.85 NPC1 (0.48) ALDH1A1KMT2AMEN1RECQLMAPT
SCHEMBL5300268 0.85 NR1I2 (0.61) ALDH1A1PKMKMT2AMEN1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed

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 1381/4885PKM 3770/4885KMT2A 3680/4885

“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.