SCHEMBL2295013

SCHEMBL2295013

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
PKM P14618 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.43
ELANE P08246 2/20 0.42
BRD4 O60885 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
MITF O75030 1/20 0.42
XBP1 P17861 1/20 0.42
MDM2 Q00987 1/20 0.42
FGFR1 P11362 1/20 0.42
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
KLKB1 P03952 1/20 0.41
CTRB1 P17538 1/20 0.41
TBXA2R P21731 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
SCHEMBL2297319 0.92 FGFR1 (0.50) ALDH1A1PKMKMT2AMEN1HPGD
SCHEMBL2295010 0.76 ELANE (0.48) ALDH1A1PKMKMT2AMEN1HPGD
SCHEMBL19911386 0.75 ALDH1A1 (0.55) ALDH1A1PKMKMT2AMEN1HPGD
SCHEMBL2292988 0.74 NPC1 (0.49) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL2299748 0.74 NPC1 (0.49) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL2292979 0.74 NPC1 (0.49) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL2292928 0.70 PKM (0.53) ALDH1A1PKMKMT2AMEN1HPGD
SCHEMBL19911382 0.69 ALDH1A1 (0.51) ALDH1A1PKMKMT2AMEN1HPGD
SCHEMBL4748504 0.69 PKM (0.77) ALDH1A1PKMKMT2AMEN1HPGD
SCHEMBL15208411 0.69 ALDH1A1 (0.48) 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 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 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

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.