SCHEMBL9928535

SCHEMBL9928535

COc1ccc(Cn2c(Cl)nc3c(ncn3COCC[Si](C)(C)C)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
USP2 O75604 2/20 0.41
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
CASP7 P55210 1/20 0.41
ADORA2A P29274 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL9928536 0.84 GAA (0.39) KDM4EALDH1A1USP2CASP1HSD17B10
SCHEMBL15293654 0.82 PCSK9 (0.47) ALDH1A1USP2MAPTNPSR1POLB
SCHEMBL14554321 0.76 CTSL (0.48) KDM4EHSD17B10HPGDADORA2AHSP90AA1
SCHEMBL20555316 0.71 YTHDC1 (0.38) USP2HSD17B10RECQLHSP90AA1HSP90AB1
SCHEMBL3267555 0.70 P2RX7 (0.43) ALDH1A1USP2HSD17B10MAPTRECQL
SCHEMBL30496451 0.70 P2RX7 (0.43) ALDH1A1USP2HSD17B10MAPTRECQL
SCHEMBL15293655 0.70 PNP (0.55) ALDH1A1USP2HSD17B10HPGDRECQL
SCHEMBL5783265 0.70 TSHR (0.39) KDM4EALDH1A1USP2CASP1HSD17B10
SCHEMBL14916463 0.69 HSP90AB1 (0.50) USP2HSD17B10RECQLHSP90AA1HSP90AB1
SCHEMBL16298450 0.69 YTHDC1 (0.59) KDM4EALDH1A1USP2HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648517-B1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME (US) 2015-08-05 EP disclosed
US-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. 2013-10-03 US disclosed
WO-2012078448-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS SCHERING CORPORATION (US) 2012-06-14 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 (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-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP7, DPP3 KDM4E 1965/4885ALDH1A1 809/4885USP2 1131/4885

“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.