SCHEMBL2299136

SCHEMBL2299136

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NR1I2 O75469 3/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
RORC P51449 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 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
SCHEMBL2295180 0.93 SMN1; SMN2 (0.47) SMN1; SMN2NR1I2KMT2AMEN1ALDH1A1
SCHEMBL2299928 0.86 ALDH1A1 (0.47) SMN1; SMN2NR1I2KMT2AMEN1ALDH1A1
SCHEMBL2295280 0.85 KMT2A (0.50) SMN1; SMN2NR1I2KMT2AMEN1KDM4E
SCHEMBL2295330 0.84 ALDH1A1 (0.53) SMN1; SMN2NR1I2KMT2AMEN1ALDH1A1
SCHEMBL2291392 0.84 KMT2A (0.51) SMN1; SMN2NR1I2KMT2AMEN1ALDH1A1
SCHEMBL2295562 0.83 LMNA (0.48) SMN1; SMN2NR1I2KMT2AMEN1ALDH1A1
SCHEMBL5295207 0.82 FNTA (0.45) SMN1; SMN2NR1I2KMT2AMEN1NPC1
SCHEMBL2297135 0.81 KMT2A (0.46) SMN1; SMN2NR1I2KMT2AMEN1ALDH1A1
SCHEMBL2297533 0.80 ITGB3 (0.50) SMN1; SMN2NR1I2KMT2AALDH1A1KDM4E
SCHEMBL2295718 0.80 KMT2A (0.48) SMN1; SMN2NR1I2KMT2AMEN1MAPT

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 SMN1; SMN2 2159/4885NR1I2 1911/4885KMT2A 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.