SCHEMBL2297140

SCHEMBL2297140

O=C(O)CC(c1cccnc1)n1cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
PKM P14618 1/20 0.43
BRD4 O60885 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 1/20 0.41
TBXAS1 P24557 3/20 0.40
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
HPGD P15428 1/20 0.39
CYP19A1 P11511 3/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
ITGB5 P18084 1/20 0.39
MAPT P10636 4/20 0.39
FGFR1 P11362 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5300707 0.90 ALDH1A1 (0.53) ALDH1A1PKMBRD4KCNH2MEN1
SCHEMBL2293425 0.90 ALDH1A1 (0.53) ALDH1A1PKMBRD4KCNH2MEN1
SCHEMBL2292942 0.89 TNF (0.41) ALDH1A1PKMBRD4KCNH2MEN1
SCHEMBL2299828 0.84 ALDH1A1 (0.49) ALDH1A1PKMBRD4KCNH2MEN1
SCHEMBL2296336 0.83 ITGB3 (0.41) TBXAS1ITGB3ITGAVITGB5MAPT
SCHEMBL2298522 0.82 ALDH1A1 (0.47) ALDH1A1PKMBRD4KCNH2MEN1
SCHEMBL2292926 0.79 ALDH1A1 (0.48) ALDH1A1PKMBRD4KCNH2MEN1
SCHEMBL2295278 0.78 MEN1 (0.45) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL5295207 0.78 FNTA (0.45) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL2298731 0.77 HTT (0.47) ALDH1A1PKMBRD4KCNH2MEN1

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 3770/4885BRD4 1803/4885

“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.