SCHEMBL21393714

SCHEMBL21393714

CC(C)(C)NC(=O)c1nnc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
SYK P43405 4/20 0.33
ALPL P05186 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33

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
SCHEMBL11250555 0.70 NPC1 (0.45) ALDH1A1POLBHPGDKDM4ESYK
SCHEMBL163003 0.69 SYK (0.36) ALDH1A1LMNAL3MBTL1SYK
SCHEMBL165035 0.69 SYK (0.37) ALDH1A1MAPTLMNAL3MBTL1SYK
SCHEMBL12669761 0.67 TP53 (0.51) GAASYKALPLSMN1; SMN2
SCHEMBL3536595 0.66 GAA (0.37) GAAPOLBMAPTL3MBTL1SYK
SCHEMBL18407329 0.64 IRAK4 (0.39) ALDH1A1POLBMAPTAPEX1LMNA
SCHEMBL18232982 0.63 POLB (0.35) ALDH1A1GAAPOLBMAPTAPEX1
SCHEMBL20623042 0.63 L3MBTL1 (0.44) ALDH1A1POLBMAPTLMNAL3MBTL1
SCHEMBL3001263 0.63 CNR2 (0.38) POLBMAPTSYKALPL
SCHEMBL30674447 0.63 POLB (0.35) ALDH1A1GAAPOLBMAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase Phenex Discovery Verwaltungs-GmbH (DE) 2021-08-03 US disclosed
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-09-26 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 (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-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT ALDH1A1 650/4885GAA 1702/4885POLB 3216/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALDH1A1 650/4885GAA 1702/4885POLB 3216/4885

“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.