SCHEMBL2299775

SCHEMBL2299775

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)C(c3ccccc3)C3CCCC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.53
S1PR3 Q99500 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 1/20 0.52
PTGES O14684 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNQ2 O43526 1/20 0.39
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPY2R P49146 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
SCHEMBL2299633 0.93 HTR1E (0.53) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL2292578 0.84 KDM4E (0.44) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL2294191 0.83 NPC1 (0.38) LMNAKMT2AMAPTCYP3A4CYP2D6
SCHEMBL5302265 0.83 EPHX2 (0.48) MEN1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL2294478 0.82 NPC1 (0.48) MEN1LMNAKMT2AHTTMAPT
SCHEMBL2299682 0.82 DEGS1 (0.44)
SCHEMBL2292264 0.81 NPC1 (0.44) MEN1LMNAKMT2AHTTMAPT
SCHEMBL5285256 0.80 TP53 (0.48) MEN1LMNAKMT2AHTTMAPT
SCHEMBL2299723 0.80 GRM4 (0.48) MAPT
SCHEMBL2295598 0.79 MEN1 (0.43) MEN1LMNAKMT2AHTTMAPT

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 HTR1E 1999/4885S1PR3 546/4885MEN1 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.