SCHEMBL17595461

SCHEMBL17595461

CN(C)c1ccc(NC(=NO)c2nonc2N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.42
TDO2 P48775 2/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 2/20 0.38
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
CASP6 P55212 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 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
SCHEMBL19654572 1.00 IDO1 (0.42) IDO1TDO2MAPTALDH1A1KDM4E
SCHEMBL17595459 1.00 IDO1 (0.42) IDO1TDO2MAPTALDH1A1KDM4E
SCHEMBL21118334 0.85 IDO1 (0.47) IDO1TDO2MAPTHTTGFER
SCHEMBL2520576 0.85 IDO1 (0.47) IDO1TDO2MAPTHTTGFER
SCHEMBL2520573 0.85 IDO1 (0.47) IDO1TDO2MAPTHTTGFER
SCHEMBL2518268 0.84 ALDH1A1 (0.46) IDO1TDO2MAPTALDH1A1HTT
SCHEMBL2518271 0.84 ALDH1A1 (0.46) IDO1TDO2MAPTALDH1A1HTT
SCHEMBL2519337 0.81 ALDH1A1 (0.46) IDO1TDO2MAPTALDH1A1HTT
SCHEMBL149780 0.81 IDO1 (0.61) IDO1TDO2MAPTALDH1A1HTT
SCHEMBL2519338 0.81 ALDH1A1 (0.46) IDO1TDO2MAPTALDH1A1HTT

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
US-10183082-B2 PET probes of radiofluorinated carboximidamides for IDO-targeted imaging H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-01-22 US disclosed
US-20170340758-A1 PET PROBES OF RADIOFLUORINATED CARBOXIMIDAMIDES FOR IDO-TARGETED IMAGING H LEE MOFFITT CANCER CT & RES (US) 2017-11-30 US disclosed
WO-2016040458-A2 PET PROBES OF RADIOFLUORINATED CARBOXIMIDAMIDES FOR IDO-TARGETED IMAGING H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2016-03-17 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-10183082-B2 PET probes of radiofluorinated carboximidamides for IDO-targeted imaging IDO1, IDO2, KMO IDO1 1/4885TDO2 6/4885MAPT 3402/4885
US-20170340758-A1 PET PROBES OF RADIOFLUORINATED CARBOXIMIDAMIDES FOR IDO-TARGETED IMAGING IDO1, IDO2, IDH1 IDO1 1/4885TDO2 19/4885MAPT 3473/4885

“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.