SCHEMBL4764904

SCHEMBL4764904

O=Cc1c(-c2ccccc2)ncn1CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.66
TEK Q02763 2/20 0.59
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.42
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 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
SCHEMBL4774618 0.80 TEK (0.56) PTGS2TEKLMNAALDH1A1MAPT
SCHEMBL4769183 0.75 TEK (1.00) PTGS2TEKHDAC6FLT1KDR
SCHEMBL4769197 0.75 TEK (1.00) PTGS2TEKHDAC6FLT1KDR
SCHEMBL4767285 0.74 KDR (0.60) PTGS2TEKKDM4EKDR
SCHEMBL4764875 0.72 KDR (0.52) PTGS2TEKLMNAALDH1A1KDM4E
SCHEMBL4796428 0.72 CYP11B2 (0.53) PTGS2TEKLMNAALDH1A1MEN1
SCHEMBL31618530 0.69 PTGS2 (0.56) PTGS2HDAC6MAPT
SCHEMBL29952400 0.67 ALDH1A1 (0.56) PTGS2HSD17B10ALOX15LMNAALDH1A1
SCHEMBL1035783 0.66 EGLN3 (0.71) PTGS2LMNAALDH1A1KDM4E
SCHEMBL23410288 0.66 PTGS2 (0.52) PTGS2TEKHSD17B10ALOX15ALDH1A1

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
EP-1575963-B1 ANTI-ANGIOGENETIC THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
US-20060069109-A1 Therapeutic agents ASTRAZENECA AB (SE) 2006-03-30 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-20060069109-A1 Therapeutic agents TIE1, TEK, KDR PTGS2 112/4885TEK 2/4885HSD17B10 2948/4885

“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.