SCHEMBL4676887

SCHEMBL4676887

CC(=O)c1ccc(CC(=O)C(=O)c2nc[nH]n2)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
MAPT P10636 5/20 0.33
TDP1 Q9NUW8 3/20 0.32
POLB P06746 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
TLR2 O60603 1/20 0.32
NSD2 O96028 1/20 0.32
PKM P14618 1/20 0.32
MPI P34949 1/20 0.32
GRK6 P43250 1/20 0.32
RECQL P46063 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
SCHEMBL4675959 0.86 KMT2A (0.40) HTTKMT2ALMNANPC1RAB9A
SCHEMBL4672875 0.83 ALDH1A1 (0.40) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4672900 0.82 HTT (0.33) HTTSMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL4678602 0.81 SMN1; SMN2 (0.38) HTTSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL4675237 0.81 ALDH1A1 (0.43) HTTKMT2ALMNAMAPTPOLB
SCHEMBL4675087 0.81 ALDH1A1 (0.43) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4676111 0.81 ALOX5 (0.37) SMN1; SMN2KMT2ALMNAMEN1NPC1
SCHEMBL4676639 0.80 HTT (0.31) HTTTDP1ALDH1A1
SCHEMBL3221462 0.80 CYP1A2 (0.35) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4678966 0.80 PTGER1 (0.35) TDP1POLBL3MBTL1SENP8SENP7

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 7 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-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 HTT 1204/4885SMN1; SMN2 4107/4885KMT2A 597/4885

“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.