SCHEMBL2299633

SCHEMBL2299633

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)C(c3ccccc3)C3CCCC3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.53
S1PR3 Q99500 3/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.52
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.40
PTGES O14684 2/20 0.40
TP53 P04637 2/20 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

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
SCHEMBL2299775 0.93 HTR1E (0.53) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL6015067 0.85 KDM4E (0.51) LMNAMEN1KMT2AHTTMAPT
SCHEMBL2296379 0.84 NPC1 (0.46) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL2300786 0.83 RAB9A (0.45) LMNAMEN1KMT2AMAPTNPC1
SCHEMBL5447209 0.83 EPHX2 (0.48) LMNAKMT2AMAPTNPC1RAB9A
SCHEMBL2295674 0.82 NPC1 (0.56) LMNAMEN1KMT2AMAPTNPC1
SCHEMBL2294942 0.82 HDAC3 (0.44) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2296670 0.81 NR1I2 (0.47) LMNAMEN1KMT2AHTTMAPT
SCHEMBL2296252 0.81 NR1I2 (0.47) LMNAMEN1KMT2AHTTMAPT
SCHEMBL2292549 0.80 GRM4 (0.48) LMNAMAPTNPC1RAB9ASMN1; SMN2

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 546/4885LMNA 1740/4885

“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.