SCHEMBL21393559

SCHEMBL21393559

CC(C)(C)NC(=O)C1(C(N)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 2/20 0.33
OPRK1 P41145 1/20 0.32
KDM4E B2RXH2 4/20 0.31
KMT2A Q03164 1/20 0.31
SPHK1 Q9NYA1 4/20 0.31
NPC1 O15118 1/20 0.31
GALR3 O60755 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL23890496 0.77 NPSR1 (0.35) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL2199488 0.75 KDM4E (0.39) SMN1; SMN2KDM4EKMT2ASPHK1NPC1
SCHEMBL19964619 0.73 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL18756141 0.72 DGAT1 (0.43) LMNAKDM4EKMT2ASPHK1
SCHEMBL2915351 0.71 MEN1 (0.32) KMT2A
SCHEMBL23828 0.70
SCHEMBL21393711 0.70 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL12057417 0.70 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL13543191 0.70 TDP1 (0.32) OPRK1KDM4EKMT2A
SCHEMBL18756142 0.70 MEN1 (0.42) ALDH1A1LMNAKMT2ANPC1RAB9A

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 650/4885LMNA 4632/4885SMN1; SMN2 1421/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALDH1A1 650/4885LMNA 4632/4885SMN1; SMN2 1421/4885

“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.