SCHEMBL4493128

SCHEMBL4493128

CC(=O)c1oc2ccc(/C(C)=C/C(=O)N3CCOCC3)cc2c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.40
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
NPC1 O15118 6/20 0.40
MAPT P10636 6/20 0.40
HSD17B10 Q99714 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 4/20 0.38
HPGD P15428 7/20 0.37
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA2A P29274 1/20 0.36
CASP1 P29466 1/20 0.36
TSHR P16473 2/20 0.35

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
SCHEMBL4493137 1.00 RAB9A (0.40) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL4493133 1.00 RAB9A (0.40) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL4501295 0.86 POLB (0.42) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL4501293 0.86 POLB (0.42) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL4501299 0.86 POLB (0.42) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL4502961 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1MAPTLMNA
SCHEMBL4502963 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1MAPTLMNA
SCHEMBL4502954 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1MAPTLMNA
SCHEMBL4517999 0.79 RAB9A (0.51) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL4518007 0.79 RAB9A (0.51) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1

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 RAB9A 4698/4885KDM4E 1903/4885ALDH1A1 658/4885

“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.