SCHEMBL6578743

SCHEMBL6578743

Cc1sc(-c2ccccc2)nc1CON1C=C(COc2ncccc2C=O)OC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.35
PPARG P37231 4/20 0.33
PPARA Q07869 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
NLRP1 Q9C000 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
ROCK2 O75116 1/20 0.30

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
SCHEMBL4029418 0.78 FFAR1 (0.40) HRH3PPARGPPARAMEN1KMT2A
SCHEMBL4038650 0.77 GABRA5 (0.36) HRH3PPARGPPARAKDM4EMEN1
SCHEMBL4035249 0.65 CCNB2 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL4038452 0.64 ALDH1A1 (0.49) HRH3PPARGPPARAKDM4EMEN1
SCHEMBL4035340 0.63 KDM4E (0.41) HRH3PPARGPPARAKDM4EALDH1A1
SCHEMBL4034230 0.62 FFAR1 (0.58) PPARGPPARA
SCHEMBL4032477 0.62 FFAR1 (0.45) PPARGPPARAROCK2
SCHEMBL4031214 0.62 MEN1 (0.43) HRH3PPARGPPARAKDM4EMEN1
SCHEMBL4035756 0.61 PPARA (0.37) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL4034640 0.61 HRH3 (0.43) HRH3PPARGPPARAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US 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 HRH3 442/4885PPARG 593/4885PPARA 156/4885

“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.