SCHEMBL3209341

SCHEMBL3209341

COCCOc1ccc(N)c(C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40
ERN1 O75460 2/20 0.40
CHEK2 O96017 1/20 0.40
APP P05067 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRIM24 O15164 1/20 0.37
TYR P14679 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37

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
SCHEMBL3214487 0.81 MEN1 (0.54) ALDH1A1HSD17B10TUBB1ERN1MAPT
SCHEMBL8421788 0.81 ERN1 (0.65) TUBB1ERN1TRIM24TYRTRIM33
SCHEMBL662439 0.81 KDM4E (0.46) ALDH1A1TUBB1ERN1APPMAPT
SCHEMBL2204435 0.79 ERN1 (0.61) ALDH1A1ERN1MAPTSMN1; SMN2TRIM24
SCHEMBL5960246 0.79 NR4A1 (0.50) ALDH1A1CASP1CASP7HSD17B10CHEK2
SCHEMBL11480200 0.79 KDM4E (0.44) ALDH1A1CASP1CASP7HSD17B10TUBB1
SCHEMBL3204682 0.77 TYR (0.65) ALDH1A1TUBB1ERN1APPMAPT
SCHEMBL5143351 0.77 ALDH1A1 (0.67) ALDH1A1TUBB1ERN1MAPTHPGD
SCHEMBL16741184 0.77 APP (0.41) ALDH1A1ERN1APPTRIM24TYR
SCHEMBL3782428 0.76 TUBB1 (0.49) ALDH1A1TUBB1ERN1MAPTHPGD

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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ALDH1A1 1897/4885CASP1 3653/4885CASP7 3648/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ALDH1A1 1897/4885CASP1 3653/4885CASP7 3648/4885

“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.