SCHEMBL7656939

SCHEMBL7656939

O=C(O)c1ccc2c(cnn2CCc2cc(=O)n3cc[nH]c3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 2/20 0.39
▸ KMO O15229 4/20 0.38
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ GLS O94925 1/20 0.33
▸ ITGB3 P05106 5/20 0.33
▸ ITGAV P06756 5/20 0.33
▸ ITGA2B P08514 5/20 0.33
▸ HDAC3 O15379 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ HCAR3 P49019 1/20 0.31

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
SCHEMBL7658520 0.87 MAPT (0.36) PLA2G4AMAOAMAOB
SCHEMBL7663330 0.79 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7660821 0.76 PLA2G4A (0.39) PLA2G4AKMOMAOAMAOBGLS
SCHEMBL7428046 0.75 BACE1 (0.45) PLA2G4AKMOMAOAMAOBGLS
SCHEMBL7656946 0.74 KMO (0.40) PLA2G4AKMOMAOAMAOBGLS
SCHEMBL7660910 0.73 PLA2G4A (0.43) PLA2G4AKMOMAOAMAOBGLS
SCHEMBL25412928 0.72 PLA2G4A (0.50) PLA2G4AKMOMAOAMAOBHDAC3
SCHEMBL30614177 0.72 PLA2G4A (0.50) PLA2G4AKMOMAOAMAOBHDAC3
SCHEMBL6840437 0.69 PLA2G4A (0.50) PLA2G4AKMOMAOAMAOBHDAC3
SCHEMBL3438334 0.68 HCAR3 (0.56) PLA2G4AKMOMAOAMAOBHCAR3

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-6489333-B2 HETEROCYCLIC COMPOUNDS CONTAINING A GUANIDINE MIMIC, FOR INHIBITION OF CELL ADHESION, TREATMENT OF ANGIOGENESIS DISORDERS, INFLAMMATION, CANCER METASTASIS, DIABETIC RETINOPATHY, THROMBOSIS, RESTENOSIS, MACULAR DEGENERATION BRISTOL - MEYERS SQUIBB PHARMA COMPANY 2002-12-03 — — US disclosed
US-20010044535-A1 Integrin antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-11-22 — — US 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-20010044535-A1 Integrin antagonists ITGB3, VCAM1, ITGB2 PLA2G4A 3680/4885KMO 3623/4885MAOA 4152/4885

“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.

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