SCHEMBL4672137

SCHEMBL4672137

O=C(C=C(O)c1nc[nH]n1)c1occc1Oc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.39
HAO1 Q9UJM8 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
ABL1 P00519 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
FFAR1 O14842 1/20 0.32
RHEB Q15382 2/20 0.32
IGFBP3 P17936 1/20 0.32
PDE4B Q07343 1/20 0.32
GRM5 P41594 1/20 0.32
FKBP1A P62942 1/20 0.32
RXRA P19793 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
SCHEMBL4673610 0.88 MAPT (0.34) CYP3A4LMNA
SCHEMBL4672935 0.88 KDM4E (0.45) LMNAHAO1
SCHEMBL4673422 0.88 CDH1 (0.33) LMNAHAO1
SCHEMBL4671508 0.85 KDM4E (0.38) MRGPRX4ICAM1SELE
SCHEMBL4673044 0.84 KDM4C (0.36) CYP3A4LMNAHAO1ICAM1SELE
SCHEMBL4672847 0.82 CXCL8 (0.36)
SCHEMBL4672494 0.82 LMNA (0.39) CYP3A4LMNAHAO1MRGPRX4ICAM1
SCHEMBL4672775 0.82 KMO (0.37)
SCHEMBL4671915 0.81 KMT2A (0.36) LMNAHAO1
SCHEMBL4675207 0.81 PARP10 (0.30)

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 4 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-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US 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 CYP3A4 4/4885LMNA 659/4885HAO1 600/4885

“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.