SCHEMBL6404427

SCHEMBL6404427

Nn1c(=O)oc2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
PGAM1 P18669 1/20 0.48
MAOA P21397 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.46
NQO1 P15559 1/20 0.46
HTR1A P08908 2/20 0.43
USP2 O75604 2/20 0.41
CSNK2A2 P19784 1/20 0.41
PTGS1 P23219 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL11148469 0.76 FEN1 (0.50) KDM4EALDH1A1HPGDGLACYP3A4
SCHEMBL171826 0.76 KDM4E (0.48) KDM4EALDH1A1HPGDGLACYP3A4
SCHEMBL11925163 0.76 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGLACYP3A4
SCHEMBL3447171 0.75 MAPK1 (0.57) ALDH1A1HPGDSMN1; SMN2GAAUSP2
SCHEMBL3098922 0.73 MAPK1 (0.62) KDM4EALDH1A1HPGDGLACYP3A4
SCHEMBL8348736 0.72 HTR1A (0.50) KDM4EALDH1A1HPGDGLACYP3A4
SCHEMBL13660626 0.71 FAAH (0.45) KDM4EALDH1A1HPGDGLACYP3A4
SCHEMBL14565141 0.71 HTR1A (0.67) ALDH1A1HPGDHTR1AUSP2TSHR
SCHEMBL13998669 0.69 HTR1A (0.54) KDM4EALDH1A1HPGDGLACYP3A4
SCHEMBL8012207 0.69 KDM4E (0.45) KDM4EALDH1A1HPGDGLACYP3A4

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
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 KDM4E 1617/4885ALDH1A1 408/4885HPGD 460/4885

“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.