SCHEMBL21393710

SCHEMBL21393710

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MME P08473 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
OPRK1 P41145 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL16847622 0.94 KMT2A (0.36) KMT2AMEN1L3MBTL1ALDH1A1MME
SCHEMBL9911496 0.82 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1ALDH1A1MME
SCHEMBL19091396 0.79 MAOA (0.31) OPRK1
SCHEMBL22167846 0.77 MEN1 (0.40) KMT2AMEN1L3MBTL1ALDH1A1MME
SCHEMBL14355562 0.76 ALDH1A1 (0.41) KMT2AMEN1L3MBTL1ALDH1A1MME
SCHEMBL2199488 0.75 KDM4E (0.39) KMT2ANPC1KDM4E
SCHEMBL3387669 0.74 OPRK1 (0.53) KMT2AMEN1ALDH1A1MMEOPRK1
SCHEMBL13656745 0.73 ALDH1A1 (0.39) KMT2AMEN1L3MBTL1ALDH1A1MME
SCHEMBL18756141 0.72 DGAT1 (0.43) KMT2ACYP1A2TSHRKDM4E
SCHEMBL15630385 0.71 ALDH1A1 (0.38) KMT2AMEN1L3MBTL1ALDH1A1MME

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 KMT2A 654/4885MEN1 893/4885L3MBTL1 3912/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT KMT2A 654/4885MEN1 893/4885L3MBTL1 3912/4885

“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.