SCHEMBL2297533

SCHEMBL2297533

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)Cc3cccnc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.50
ITGAV P06756 3/20 0.50
ADRA2B P18089 1/20 0.47
NR1I2 O75469 2/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ESR1 P03372 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EPHX2 P34913 1/20 0.44
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
ADRB1 P08588 1/20 0.43

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
SCHEMBL2291392 0.92 KMT2A (0.51) ITGB3ITGAVNR1I2KMT2AHPGD
SCHEMBL5292268 0.87 LMNA (0.49) ITGB3ITGAVADRA2BKMT2AHPGD
SCHEMBL2297135 0.86 KMT2A (0.46) NR1I2KMT2AHPGDALDH1A1NPC1
SCHEMBL2299666 0.85 KMT2A (0.48) NR1I2KMT2AKDM4ENPC1RAB9A
SCHEMBL2300667 0.85 RAB9A (0.51) KMT2AKDM4EUSP2ALDH1A1POLB
SCHEMBL5305129 0.85 NPC1 (0.49) NR1I2KMT2AKDM4ENPC1RAB9A
SCHEMBL2299814 0.85 LMNA (0.45) NR1I2KMT2AALDH1A1NPC1RAB9A
SCHEMBL5295744 0.84 BCHE (0.46) NR1I2KMT2AKDM4ENPC1RAB9A
SCHEMBL2294482 0.84 NAMPT (0.48) ITGB3ITGAVNR1I2KMT2AKDM4E
SCHEMBL2291248 0.83 USP2 (0.51) NR1I2KMT2AHPGDUSP2ALDH1A1

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 2 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
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US 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 ITGB3 10/4885ITGAV 13/4885ADRA2B 704/4885

“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.