SCHEMBL179226

SCHEMBL179226

CSNCCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
EPHX1 P07099 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MALT1 Q9UDY8 1/20 0.41
IDO1 P14902 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL19914492 0.89 TDP1 (0.59) TDP1MEN1GAAKMT2ACA12
SCHEMBL3341020 0.85 TDP1 (0.67) TDP1MEN1GAAKMT2ACA12
SCHEMBL20755615 0.82 TDP1 (0.51) TDP1MEN1GAAKMT2ACA12
SCHEMBL18756424 0.81 MEN1 (0.51) TDP1MEN1GAAKMT2ACA12
SCHEMBL9998912 0.79 TDP1 (0.60) TDP1MEN1GAAKMT2ACA12
SCHEMBL21182184 0.79 TDP1 (0.60) TDP1MEN1GAAKMT2ACA12
SCHEMBL20801639 0.79 TDP1 (0.60) TDP1MEN1GAAKMT2ACA12
SCHEMBL631719 0.79 TDP1 (0.60) TDP1MEN1GAAKMT2ACA12
SCHEMBL15427310 0.79 TDP1 (0.60) TDP1MEN1GAAKMT2ACA12
SCHEMBL21652637 0.79 TDP1 (0.47) TDP1MEN1GAAKMT2ACA12

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
WO-2023072246-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-04 WO disclosed
WO-2018039621-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. (US) 2018-03-01 WO disclosed
US-20120058079-A1 1,2,5-Oxadiazoles as Inhibitors of Indoleamine 2,3-Dioxygenase INCYTE CORPORATION, A DELAWARE CORPORATION 2012-03-08 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-20120058079-A1 1,2,5-Oxadiazoles as Inhibitors of Indoleamine 2,3-Dioxygenase IDO1, IDO2, INMT TDP1 428/4885MEN1 1453/4885GAA 2895/4885

“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.