SCHEMBL4671985

SCHEMBL4671985

O=C(C=C(O)c1nc[nH]n1)c1ccc(CC2CC2)o1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.32
POLB P06746 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4672828 0.95 ALDH1A1 (0.34) TDP1POLBLMNASMN1; SMN2NPC1
SCHEMBL4675302 0.86 ALDH1A1 (0.33) LMNARAB9AKMT2A
SCHEMBL4678961 0.81 PTGER1 (0.36) TDP1POLBL3MBTL1MAPTSMN1; SMN2
SCHEMBL4671760 0.81 MEN1 (0.35) TDP1POLBMAPTLMNASMN1; SMN2
SCHEMBL4678600 0.81 HSD17B10 (0.41) POLBMAPTLMNATSHRSMN1; SMN2
SCHEMBL4672893 0.81 SMN1; SMN2 (0.34) TDP1POLBL3MBTL1MAPTSMN1; SMN2
SCHEMBL4671675 0.80 LMNA (0.34) POLBMAPTLMNATSHRSMN1; SMN2
SCHEMBL4676637 0.80 ELANE (0.33) TDP1SMN1; SMN2HSD17B10
SCHEMBL4678029 0.80 NPC1 (0.35) TDP1POLBL3MBTL1MAPTSMN1; SMN2
S-1360 SCHEMBL3221454 0.80 CYP1A2 (0.36) TDP1POLBL3MBTL1MAPTLMNA

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 TDP1 306/4885POLB 58/4885L3MBTL1 1170/4885

“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.