SCHEMBL4504465

SCHEMBL4504465

CC(=O)c1oc2ccc(C#N)cc2c1NC(=O)c1cnoc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
THRB P10828 1/20 0.39
PIM1 P11309 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
AGTR1 P30556 1/20 0.39
CCKBR P32239 1/20 0.39
MC4R P32245 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 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
SCHEMBL4492603 0.84 ALDH1A1 (0.50) DHODHRAB9ANPC1LMNAGMNN
SCHEMBL4503918 0.82 MAPT (0.49) DHODHRAB9ANPC1TP53THRB
SCHEMBL4499309 0.82 MAPT (0.50) DHODHRAB9ANPC1LMNAGMNN
SCHEMBL4510706 0.77 CYSLTR2 (0.68) DHODHRAB9ATHRBSMN1; SMN2NPSR1
SCHEMBL4510711 0.77 CYSLTR2 (0.68) DHODHRAB9ATHRBSMN1; SMN2NPSR1
SCHEMBL4510714 0.77 CYSLTR2 (0.68) DHODHRAB9ATHRBSMN1; SMN2NPSR1
SCHEMBL4494862 0.76 KDM4E (0.46) RAB9ANPC1TP53CYP1A2CYP3A4
SCHEMBL4510396 0.76 RAB9A (0.42) DHODHRAB9ANPC1LMNAGMNN
SCHEMBL4494669 0.76 CYSLTR2 (0.47) DHODHTHRBSMN1; SMN2NPSR1KDM4E
SCHEMBL4494666 0.76 CYSLTR2 (0.47) DHODHTHRBSMN1; SMN2NPSR1KDM4E

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 DHODH 789/4885RAB9A 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.