SCHEMBL5899358

SCHEMBL5899358

O=C(C=C(O)c1nc[nH]n1)c1cc(Cc2ccncc2)oc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 2/20 0.35
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL4670834 0.91 SLC16A3 (0.32) KDM5AKDM5B
SCHEMBL4679140 0.88 LMNA (0.33) CYP11B1CYP11B2PIM1PIM2
SCHEMBL4677384 0.88 POLB (0.35) CYP11B1CYP11B2PIM1PIM2
SCHEMBL4675917 0.86 CYP11B1 (0.35) CYP11B1CYP11B2PIM1PIM2
SCHEMBL4671675 0.84 LMNA (0.34) CYP11B1CYP11B2PIM1PIM2
SCHEMBL4672745 0.84 PIM1 (0.32) PIM1PIM2
SCHEMBL4674759 0.84 NR3C2 (0.36) CYP11B1CYP11B2PIM1PIM2
SCHEMBL5899383 0.82 PIM1 (0.31) CYP11B1CYP11B2PIM1PIM2
SCHEMBL4674293 0.82 CYP11B1 (0.33) CYP11B1CYP11B2PIM1PIM2
SCHEMBL4676626 0.82 LMNA (0.33) CYP11B1CYP11B2PIM1PIM2

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
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
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 CYP11B1 63/4885CYP11B2 129/4885PIM1 635/4885

“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.