SCHEMBL5899374

SCHEMBL5899374

O=C(C=C(O)c1nn[nH]n1)c1cc(COc2ccccc2)cn1Cc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MAP4K4 O95819 1/20 0.35
SNRNP200 O75643 1/20 0.34
ALKBH1 Q13686 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
MAPT P10636 3/20 0.34

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
SCHEMBL4673708 0.89 ERCC5 (0.36) ERCC5FEN1HDAC3HDAC4HDAC1
SCHEMBL4673909 0.88 USP2 (0.37) CCNCCDK8MAP4K4ALDH1A1MAPK1
SCHEMBL4675058 0.87 CCNC (0.38) CCNCCDK8SNRNP200ALKBH1GPR132
SCHEMBL4671501 0.87 CCNC (0.41) ERCC5FEN1CCNCCDK8MAP4K4
SCHEMBL4674569 0.87 ERCC5 (0.36) ERCC5FEN1CCNCCDK8HDAC3
SCHEMBL4673301 0.85 USP2 (0.36) CCNCCDK8MAP4K4
SCHEMBL4680101 0.83 CCNC (0.39) ERCC5FEN1CCNCCDK8MAP4K4
SCHEMBL4677380 0.83 CCNC (0.37) ERCC5FEN1CCNCCDK8HDAC3
SCHEMBL4671888 0.82 CES1 (0.44) ERCC5FEN1CCNCCDK8CES1
SCHEMBL4675042 0.81 CCNC (0.39) ERCC5FEN1CCNCCDK8MAP4K4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 ERCC5 2718/4885FEN1 611/4885CCNC 543/4885

“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.