SCHEMBL22863306

SCHEMBL22863306

Cc1ccc(C(C)(c2ccccn2)C(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX5AP P20292 2/20 0.37
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
CXCR4 P61073 1/20 0.34
SLC2A1 P11166 1/20 0.33
PTGS2 P35354 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 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
SCHEMBL22863374 0.86 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2ALOX5APCCR1CCR5
SCHEMBL15004385 0.83 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2CCR1CCR5CCR8
SCHEMBL16132532 0.80 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2CCR1CCR5CCR8
SCHEMBL16132391 0.77 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2CCR1CCR5CCR8
SCHEMBL23918901 0.76 CHRM2 (0.45) L3MBTL1SMN1; SMN2ALOX5APCHRM2CYP3A4
SCHEMBL14275821 0.76 ALOX5AP (0.66) SMN1; SMN2ALOX5APALDH1A1CYP3A4KDM4E
SCHEMBL31183050 0.72 CYP1A2 (0.36) L3MBTL1SMN1; SMN2ALDH1A1LMNACHRM2
SCHEMBL20809866 0.71 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2CCR1CCR5CCR8
SCHEMBL2018258 0.71 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2CCR1CCR5CCR8
SCHEMBL29080 0.70 SMN1; SMN2 (0.58) L3MBTL1SMN1; SMN2CCR1CCR5CCR8

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-11332466-B2 Pyridinone-based epigenetic modifiers and uses thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-05-17 US disclosed
US-20210002272-A1 PYRIDINONE-BASED EPIGENETIC MODIFIERS AND USES THEREOF UNIV ILLINOIS (US) 2021-01-07 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-20210002272-A1 PYRIDINONE-BASED EPIGENETIC MODIFIERS AND USES THEREOF BRD1, BRD2, BRD3 L3MBTL1 2387/4885SMN1; SMN2 3457/4885ALOX5AP 1989/4885
US-11332466-B2 Pyridinone-based epigenetic modifiers and uses thereof BRD1, BRD2, BRD3 L3MBTL1 2387/4885SMN1; SMN2 3457/4885ALOX5AP 1989/4885

“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.