SCHEMBL21393711

SCHEMBL21393711

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 3/20 0.33
EPHX1 P07099 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.31
KDM5A P29375 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
SCHEMBL13967129 0.76 LMNA (0.37) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL12057417 0.75 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL11472087 0.74 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2NPSR1KDM5A
SCHEMBL21393742 0.74 SMN1; SMN2 (0.38) ALDH1A1LMNASMN1; SMN2EPHX1KDM5A
SCHEMBL19964619 0.73 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL20927162 0.73 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL21393743 0.72 ALDH1A1 (0.32) ALDH1A1LMNASMN1; SMN2POLBTSHR
SCHEMBL19387427 0.72 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL19387428 0.72 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL19531835 0.71 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286983-A1 PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-09-14 US disclosed
US-20230286983-A1 PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-09-14 US disclosed
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 (3 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-20230286983-A1 PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE DMPK, PDXK, NIM1K ALDH1A1 1693/4885LMNA 784/4885SMN1; SMN2 439/4885
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.