SCHEMBL4499441

SCHEMBL4499441

CC(=O)NCCc1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.53
MTNR1B P49286 5/20 0.53
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
MAOA P21397 1/20 0.49
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
NAMPT P43490 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL9684718 0.84 NPC1 (0.47) ALDH1A1SMN1; SMN2HSD17B10HPGDNPC1
SCHEMBL9685844 0.83 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL31173757 0.79 LOXL2 (0.55) SMN1; SMN2MAOAL3MBTL1LOXL2MAOB
SCHEMBL10662358 0.79 LOXL2 (0.55) SMN1; SMN2MAOAL3MBTL1LOXL2MAOB
SCHEMBL8036021 0.76 ESR1 (0.56) KDM4EALDH1A1SMN1; SMN2HSD17B10CYP1A2
SCHEMBL10368235 0.76 LOXL2 (0.55) KDM4ECYP1A2LMNAHPGDNPC1
SCHEMBL15980824 0.75 CYP2D6 (0.58) SMN1; SMN2MAOANPC1L3MBTL1LOXL2
SCHEMBL18415492 0.74 USP2 (0.54) ALDH1A1SMN1; SMN2HSD17B10HPGDNPC1
SCHEMBL7248298 0.74 LOXL2 (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL22556182 0.74 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10HPGDLOXL2

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 MTNR1A 600/4885MTNR1B 515/4885KDM4E 1903/4885

“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.