SCHEMBL4675299

SCHEMBL4675299

O=C(C=C(O)c1nc[nH]n1)c1cc(Cl)c(Cc2ccncc2)o1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
LMNA P02545 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4678531 0.89 NR3C2 (0.32) LMNAKDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL4674887 0.88 ALDH1A1 (0.33) PIM1PIM2LMNAKDM4EALDH1A1
SCHEMBL4673166 0.88 PIM1 (0.31) PIM1PIM2
SCHEMBL4672620 0.85 SNCA (0.33) PIM1PIM2LMNATAAR1
SCHEMBL4672348 0.84 PIM1 (0.32) PIM1PIM2LMNA
SCHEMBL4671265 0.83 ABCB1 (0.35) PIM1PIM2KDM4EMAPK1
SCHEMBL4672105 0.82 LMNA (0.31) LMNANPSR1
SCHEMBL4676626 0.82 LMNA (0.33) PIM1PIM2LMNATAAR1KDM4E
SCHEMBL4678767 0.82 CYP19A1 (0.36) PIM1PIM2LMNAKDM4EALDH1A1
SCHEMBL4675221 0.81 KDM4E (0.34) PIM1PIM2LMNAKDM4EALDH1A1

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 5 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
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 PIM1 635/4885PIM2 1182/4885LMNA 659/4885

“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.