SCHEMBL3149289

SCHEMBL3149289

COc1ccccc1-c1ccc2[nH]c(=O)[nH]c2c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
PDE10A Q9Y233 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
MDM2 Q00987 1/20 0.42
HPGD P15428 3/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHEK1 O14757 1/20 0.38
WEE1 P30291 1/20 0.38

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
SCHEMBL2001210 0.90 HTT (0.50) HTTKDM4EALDH1A1GLAGAA
SCHEMBL3149112 0.76 DPP4 (0.45) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL1996196 0.72 ALDH1A1 (0.50) HTTKDM4EALDH1A1GLAGAA
SCHEMBL1303787 0.70 ABCG2 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7575602 0.69 KCNN4 (0.49) HTTKDM4EALDH1A1GLAGAA
SCHEMBL1133173 0.68 KCNN4 (0.54) HTTKDM4EALDH1A1GAAHPGD
SCHEMBL22717589 0.68 HTT (0.52) HTTKDM4EALDH1A1GLAGAA
SCHEMBL11019014 0.68 HTT (0.49) HTTKDM4EALDH1A1GLAGAA
SCHEMBL29574103 0.68 HTT (0.52) HTTKDM4EALDH1A1GLAGAA
SCHEMBL22995584 0.67 IDO1 (0.36) MEN1KMT2AGRIA1CACNG8

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
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
EP-1753730-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
US-20050272765-A1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-08 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-20050272765-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 HTT 3882/4885KDM4E 1903/4885ALDH1A1 540/4885

“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.