SCHEMBL4671089

SCHEMBL4671089

O=C(Cc1ccc(Oc2ccc(Cl)cc2)o1)C(=O)c1nc[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
P2RX3 P56373 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SENP2 Q9HC62 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
P2RY14 Q15391 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 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
SCHEMBL4671641 0.89 PARP10 (0.31) ALDH1A1MAPT
SCHEMBL4678747 0.89 ALOX5 (0.38) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL4678203 0.89 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4676009 0.88 KLKB1 (0.32) SMN1; SMN2ALDH1A1MAPTKDM4ENPSR1
SCHEMBL4677856 0.87 ALDH1A1 (0.39) ALDH1A1MAPTHTTNPSR1TSHR
SCHEMBL4680231 0.87 MAPT (0.38) SMN1; SMN2ALDH1A1MAPTHPGDNPSR1
SCHEMBL4678602 0.82 SMN1; SMN2 (0.38) HSD17B10SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL4675048 0.82 CXCL8 (0.36) SMN1; SMN2MAPTMEN1KMT2ASENP2
SCHEMBL4675671 0.81 DAO (0.36) MEN1KMT2ASENP2SENP1P2RY14
SCHEMBL4678799 0.81 LMNA (0.39) HSD17B10ALDH1A1MAPTMEN1KMT2A

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 HSD17B10 241/4885SMN1; SMN2 4107/4885ALDH1A1 980/4885

“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.