SCHEMBL4673191

SCHEMBL4673191

O=C(Cc1cocc1Cc1ccccc1C(F)(F)F)C(=O)c1nc[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
POLQ O75417 1/20 0.33
HDAC1 Q13547 2/20 0.33
RBP4 P02753 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX2 P34913 1/20 0.32
IDO1 P14902 2/20 0.32
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
AKR1B1 P15121 1/20 0.31
NR3C2 P08235 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5899352 0.86 AR (0.36) ARMAOBABL1KMT2A
SCHEMBL4671055 0.85 KDM4E (0.32) ARLMNAKDM4E
SCHEMBL4675031 0.84 AR (0.36) ARLMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL4675426 0.83 NOTUM (0.34) MAOBMAOALMNASMN1; SMN2L3MBTL1
SCHEMBL4673060 0.83 AR (0.35) ARMAOBMAOAPOLQHDAC1
SCHEMBL4674059 0.83 AR (0.35) ARMAOBMAOAPOLQHDAC1
SCHEMBL4678503 0.83 AR (0.37) ARMAOBMAOAPOLQHDAC1
SCHEMBL4677809 0.82 SLC6A2 (0.33) ARSMN1; SMN2
SCHEMBL5899357 0.82 SRD5A2 (0.34) MAOBHDAC1HDAC3HDAC2HDAC6
SCHEMBL4679496 0.82 AR (0.40) ARSMN1; SMN2

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-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
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 AR 10/4885MAOB 158/4885MAOA 238/4885

“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.