SCHEMBL4496038

SCHEMBL4496038

O=C(O)/C=C/C=C(\Cl)c1cc2cc(Br)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.58
RAB9A P51151 7/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GPR35 Q9HC97 1/20 0.45
POLB P06746 3/20 0.44
BCAT1 P54687 1/20 0.44
CYP2A6 P11509 1/20 0.42
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.41
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
F12 P00748 1/20 0.38

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
SCHEMBL4496048 1.00 PIM1 (0.58) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL13600967 0.82 PIM1 (0.47) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL4505342 0.79 PIM1 (0.48) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL4505348 0.79 PIM1 (0.48) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL3619989 0.77 PIM1 (0.72) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL13600865 0.75 MAPT (0.45) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL2198563 0.75 PIM1 (1.00) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL29523120 0.75 PIM1 (1.00) PIM1RAB9ANPC1ALDH1A1LMNA
SCHEMBL4499171 0.75 ACE (0.39) PIM1BCAT1
SCHEMBL4499170 0.75 ACE (0.39) PIM1BCAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-20060194851-A1 Benzofuran compound and medicinal composition containing the same NEW INDUSTRY RESEARCH ORGANIZATION, THE (JP) 2006-08-31 US disclosed
EP-1627873-A1 BENZOFURAN COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME The New Industry Research Organization (JP) 2006-02-22 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-20060194851-A1 Benzofuran compound and medicinal composition containing the same LTB4R2, LTC4S, LTB4R PIM1 3707/4885RAB9A 4698/4885NPC1 1377/4885

“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.