SCHEMBL4674645

SCHEMBL4674645

O=C(c1ccccc1)c1cc(C(=O)C=C(O)c2nn[nH]n2)n(Cc2ccccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1D P25100 1/20 0.34
MAP4K4 O95819 1/20 0.34
HSP90AB1 P08238 2/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
BRD4 O60885 1/20 0.33
DNM1L O00429 2/20 0.33
ERCC5 P28715 1/20 0.32

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
SCHEMBL4672061 0.94 KDM4C (0.38) KDM4CKDM4EMAPK1ADRA1DMAP4K4
SCHEMBL4679339 0.92 KDM4C (0.40) KDM4CKDM4EMAPK1ADRA1DHDAC1
SCHEMBL4672419 0.90 KDM4E (0.39) KDM4CKDM4EMAPK1ADRA1DHDAC1
SCHEMBL4676931 0.87 ALDH1A1 (0.38) KDM4E
SCHEMBL5899411 0.86 CES1 (0.39) KDM4CKDM4EADRA1DHDAC1HDAC3
SCHEMBL4680101 0.86 CCNC (0.39) MAP4K4HSP90AB1ERCC5FEN1
SCHEMBL4671361 0.86 KDM4C (0.39) KDM4CKDM4EMAPK1ADRA1DHSP90AB1
SCHEMBL4672326 0.84 ALDH1A1 (0.38) KDM4EDNM1L
SCHEMBL4673708 0.84 ERCC5 (0.36) KDM4EHDAC1HDAC3HDAC4HDAC7
SCHEMBL4679494 0.84 KDM4E (0.34) KDM4CKDM4EMAPK1ADRA1DERCC5

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
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
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-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 KDM4C 785/4885KDM4E 947/4885MAPK1 2560/4885

“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.