SCHEMBL3473289

SCHEMBL3473289

Brc1ccsc1-n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ADORA2A P29274 7/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
G6PD P11413 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
ELANE P08246 1/20 0.33
TDO2 P48775 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
SCHEMBL3776154 0.78 NOTUM (0.39) NOTUMALDH1A1ADORA2AADORA3ADORA2B
SCHEMBL6571813 0.78 NOTUM (0.39) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL21484254 0.74 LMNA (0.37) NOTUMALDH1A1ADORA2AADORA3ADORA2B
SCHEMBL21484255 0.74 ALDH1A1 (0.39) NOTUMALDH1A1ADORA2AKDM4ELMNA
SCHEMBL23413515 0.73 KMT2A (0.50) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL5543461 0.68 NOTUM (0.40) NOTUMALDH1A1ADORA2AADORA3ADORA2B
SCHEMBL156897 0.67 POLB (0.47) NOTUMALDH1A1ADORA2AADORA3ADORA2B
SCHEMBL1782525 0.67 ALDH1A1 (0.45) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL4815370 0.67 MAPK1 (0.56) NOTUMALDH1A1ADORA2AADORA3ADORA2B
SCHEMBL4143210 0.66 POLB (0.47) ALDH1A1POLB

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-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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 NOTUM 1252/4885ALDH1A1 1487/4885ADORA2A 455/4885

“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.