SCHEMBL2298522

SCHEMBL2298522

O=C(O)CC(c1ccc2ccccc2c1)n1cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
PKM P14618 1/20 0.46
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RECQL P46063 1/20 0.41
FGFR1 P11362 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
HPGD P15428 1/20 0.39
CNR2 P34972 2/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 4/20 0.39
BRD4 O60885 1/20 0.39
KCNH2 Q12809 1/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CDYL Q9Y232 1/20 0.39
LMNA P02545 4/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
AHR P35869 1/20 0.38

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 0.90 ALDH1A1 (0.53) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL5300707 0.90 ALDH1A1 (0.53) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL2296325 0.89 TNF (0.44) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL2299828 0.88 ALDH1A1 (0.49) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL2294961 0.83 FGFR1 (0.41) ALDH1A1FGFR1ITGB3ITGAVMAPT
SCHEMBL2298731 0.83 HTT (0.47) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL2297140 0.82 ALDH1A1 (0.45) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL2292926 0.79 ALDH1A1 (0.48) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL8266087 0.78 NR1I2 (0.40) ALDH1A1KMT2AITGB3ITGAVHPGD
SCHEMBL2295278 0.78 MEN1 (0.45) ALDH1A1PKMMEN1KMT2ARECQL

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 11 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
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
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
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 3770/4885MEN1 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.