SCHEMBL4670535

SCHEMBL4670535

Cc1ccc(Cn2ccc(C(=O)C=C(O)c3nc[nH]n3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNA1I Q9P0X4 2/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
TSHR P16473 4/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL4679047 0.90 HDAC1 (0.45) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL4676221 0.90 MEN1 (0.38) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL4671776 0.90 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL4675089 0.89 NPC1 (0.39) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL5899346 0.89 HDAC1 (0.36) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL4672484 0.88 HDAC1 (0.36) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL4672837 0.83 CACNA1G (0.40) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL4674030 0.82 L3MBTL1 (0.44) SMN1; SMN2HDAC1NPC1RAB9AL3MBTL1
SCHEMBL4676208 0.80 KDM4E (0.34) MEN1KMT2ATSHRALDH1A1MAPK1
SCHEMBL4674940 0.80 KLKB1 (0.42) ALDH1A1HSD17B10KDM4E

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 CACNA1G 2939/4885CACNA1H 2315/4885CACNA1I 2365/4885

“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.