SCHEMBL4034776

SCHEMBL4034776

Cc1sc(-c2ccccc2)nc1COc1cc(COc2ncccc2C#N)on1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.39
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
HRH3 Q9Y5N1 6/20 0.35
F2RL3 Q96RI0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4037971 0.87 GABRA5 (0.34) GABRA5HRH3F2RL3NPC1RAB9A
SCHEMBL4035103 0.83 KDR (0.43) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4038650 0.83 GABRA5 (0.36) GABRA5HRH3F2RL3NPC1RAB9A
SCHEMBL4034640 0.83 HRH3 (0.43) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4035756 0.82 PPARA (0.37) F2RL3
SCHEMBL4032352 0.78 NOTUM (0.45) GABRA5HRH3F2RL3
SCHEMBL4038043 0.73 CFD (0.44) F2RL3NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4029865 0.71 SMPD1 (0.48) GABRA5F2RL3L3MBTL1
SCHEMBL4032829 0.71 NPC1 (0.42) F2RL3NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4034022 0.71 KDR (0.42) GABRA5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK GABRA5 969/4885GABRA1 509/4885GABRG2 1555/4885

“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.