SCHEMBL2261091

SCHEMBL2261091

N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(N)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.51
KDM4E B2RXH2 11/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 4/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
POLB P06746 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 3/20 0.43
GRM2 Q14416 1/20 0.43
BIRC5 O15392 2/20 0.42
PIM1 P11309 2/20 0.42
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL10610987 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1ATM
SCHEMBL30662020 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2MAPK1ATM
SCHEMBL2262032 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EATML3MBTL1HPGD
SCHEMBL2263772 0.78 KDM4E (0.59) ALDH1A1KDM4ESMN1; SMN2MAPK1ATM
SCHEMBL30662024 0.77 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2MAPK1ATM
SCHEMBL30662023 0.75 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2MAPK1ATM
SCHEMBL30662018 0.75 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2MAPK1ATM
SCHEMBL30662030 0.73 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2L3MBTL1HPGD
SCHEMBL11462985 0.72 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2MAPK1ATM
SCHEMBL12365929 0.72 L3MBTL1 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO 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 (1 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 ALDH1A1 2744/4885KDM4E 1528/4885SMN1; SMN2 4327/4885

“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.