SCHEMBL21118334

SCHEMBL21118334

Nc1nonc1/C(=N/O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.47
TDO2 P48775 2/20 0.46
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.42
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL2520576 1.00 IDO1 (0.47) IDO1TDO2GAAMAPTEPHX1
SCHEMBL2520573 1.00 IDO1 (0.47) IDO1TDO2GAAMAPTEPHX1
SCHEMBL2519338 0.88 ALDH1A1 (0.46) IDO1TDO2MAPTPOLBHPGD
SCHEMBL2519337 0.88 ALDH1A1 (0.46) IDO1TDO2MAPTPOLBHPGD
SCHEMBL19661036 0.88 IDO1 (0.44) IDO1TDO2MAPTPOLBHPGD
SCHEMBL149779 0.88 IDO1 (0.61) IDO1TDO2MAPTMEN1KMT2A
SCHEMBL2518271 0.88 ALDH1A1 (0.46) IDO1TDO2GAAMAPTMEN1
SCHEMBL149780 0.88 IDO1 (0.61) IDO1TDO2MAPTMEN1KMT2A
SCHEMBL29627125 0.88 IDO1 (0.61) IDO1TDO2MAPTMEN1KMT2A
SCHEMBL30449075 0.88 IDO1 (0.61) IDO1TDO2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2019-06-06 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-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF IDO1, IDO2, INMT IDO1 1/4885TDO2 5/4885GAA 381/4885

“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.