SCHEMBL4035340

SCHEMBL4035340

Cc1sc(-c2ccccc2)nc1COc1ccc(C=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HRH3 Q9Y5N1 4/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
MAPT P10636 2/20 0.38
CD274 Q9NZQ7 5/20 0.38
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GABRA5 P31644 2/20 0.37
PDCD1 Q15116 1/20 0.36

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
SCHEMBL4038452 0.85 ALDH1A1 (0.49) KDM4EHRH3PPARGPPARAMAPT
SCHEMBL4038147 0.82 CD274 (0.45) HRH3CD274PDCD1
SCHEMBL5372267 0.82 CD274 (0.41) HRH3CD274GABRA5PDCD1
SCHEMBL4031890 0.80 GABRA5 (0.56) HRH3PPARGPPARACD274GABRA5
SCHEMBL4845955 0.80 ALDH1A1 (0.51) KDM4EMAPTALDH1A1RAB9AKMT2A
SCHEMBL4035264 0.76 FFAR1 (0.51) KDM4EPPARGPPARA
SCHEMBL4038470 0.75 CFD (0.44) KDM4ECD274PDCD1
SCHEMBL510599 0.74 MAOA (0.53) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL31624114 0.74 MAOA (0.53) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4035147 0.73 NPC1 (0.45) KDM4ECD274ALDH1A1LMNARAB9A

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 7 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-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 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-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP 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 (2 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 KDM4E 570/4885HRH3 442/4885PPARG 593/4885
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 KDM4E 1421/4885HRH3 339/4885PPARG 433/4885

“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.