SCHEMBL3475868

SCHEMBL3475868

CN(C)C(=O)C=Cc1ccc(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 4/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.39
RAB9A P51151 7/20 0.38
NPC1 O15118 5/20 0.38
NR4A2 P43354 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
DAO P14920 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TNFRSF1A P19438 1/20 0.35
AKR1C3 P42330 1/20 0.34
MEN1 O00255 1/20 0.34
ALPL P05186 1/20 0.34

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
SCHEMBL4486603 0.82 GLA (0.44) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL4486601 0.82 GLA (0.44) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL3516804 0.79 MAOA (0.47) ALDH1A1KMT2AKDM4EMAPTMITF
SCHEMBL1775432 0.78 KMT2A (0.56) ALDH1A1KMT2AKDM4EMAPTMAPK1
SCHEMBL1775435 0.78 KMT2A (0.56) ALDH1A1KMT2AKDM4EMAPTMAPK1
SCHEMBL13167629 0.77 MAPK1 (0.69) ALDH1A1KMT2AKDM4EMAPTMITF
SCHEMBL13185586 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EMAPTMITF
SCHEMBL28774607 0.77 CES2 (0.41) ALDH1A1KMT2AKDM4EMAPTMAPK1
SCHEMBL68058 0.76 CA12 (0.46) ALDH1A1KMT2AKDM4EMAPTMAPK1
SCHEMBL68057 0.76 CA12 (0.46) ALDH1A1KMT2AKDM4EMAPTMAPK1

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-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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 (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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 ALDH1A1 1487/4885KMT2A 2663/4885KDM4E 1934/4885

“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.