SCHEMBL4498802

SCHEMBL4498802

COc1cccc2c(NC(=O)CCCl)c(C(C)=O)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
RECQL P46063 1/20 0.40
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4507435 0.91 NPSR1 (0.47) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL4502463 0.84 TSHR (0.48) ALDH1A1KDM4ETSHRHSD17B10LMNA
SCHEMBL13600996 0.78 SMN1; SMN2 (0.42) ALDH1A1KDM4ETSHRHSD17B10LMNA
SCHEMBL4499424 0.74 DHODH (0.45) LMNARECQLMAOA
SCHEMBL4499430 0.74 DHODH (0.45) LMNARECQLMAOA
SCHEMBL4499414 0.74 DHODH (0.45) LMNARECQLMAOA
SCHEMBL4503448 0.74 MMP1 (0.55) LMNAMAPTRAB9ASMN1; SMN2MAOA
SCHEMBL4503457 0.74 MMP1 (0.55) LMNAMAPTRAB9ASMN1; SMN2MAOA
SCHEMBL4490648 0.73 PDE4A (0.48) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL4505297 0.72 LMNA (0.49) ALDH1A1KDM4EHSD17B10HPGDLMNA

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
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
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 ALDH1A1 658/4885KDM4E 1903/4885TSHR 4622/4885

“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.