SCHEMBL782594

SCHEMBL782594

CC(C)(C(N)=Nc1ccc(Br)cc1F)c1c(Cl)cccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
PTGFR P43088 2/20 0.34
PTGES O14684 1/20 0.34
CTSL P07711 5/20 0.32
CHRM5 P08912 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
HSD11B1 P28845 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
KDM1A O60341 2/20 0.30
KDM1B Q8NB78 1/20 0.30

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
SCHEMBL782593 0.69 LMNA (0.46) MEN1LMNAMAPTHTTKMT2A
SCHEMBL21729163 0.69 BACE1 (0.36) LMNAMAPTPOLB
SCHEMBL8356086 0.65 NPC1 (0.41) DGAT1CTSLLMNAMAPTPOLB
SCHEMBL2705447 0.63 CHRM5 (0.38) PTGFRPTGESCHRM5MEN1LMNA
SCHEMBL2257948 0.63 NOS1 (0.46) SIGMAR1MEN1MAPTKMT2AHTR3E
SCHEMBL8489151 0.62 GAA (0.40) LMNAMAPTHSD11B1
Hydrochloric Acid SCHEMBL3241445 0.62 NOS1 (0.50) SIGMAR1HTTHTR3EHTR3BHTR3A
SCHEMBL22884146 0.61 CHRM5 (0.43) DGAT1PTGESCHRM5MEN1LMNA
SCHEMBL11879687 0.61 HTR3E (0.53) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL25257539 0.60 KDM4E (0.44) PTGFRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435410-B1 LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2017-01-18 EP disclosed
EP-2435410-B1 LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2017-01-18 EP disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20150299136-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 US disclosed
US-20150299136-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 US disclosed
US-20150299136-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 US disclosed
US-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
US-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
US-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
US-8618154-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
EP-2435410-A2 LXR MODULATORS Exelixis Patent Company LLC (US) 2012-04-04 EP disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
WO-2010138598-A2 LXR MODULATORS EXELIXIS, INC. (US) 2010-12-02 WO disclosed
WO-2010138598-A2 LXR MODULATORS EXELIXIS, INC. (US) 2010-12-02 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 (4 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-20140163081-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 DGAT1 428/4885PTGFR 530/4885PTGES 836/4885
US-20120071534-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 DGAT1 428/4885PTGFR 530/4885PTGES 836/4885
US-20150299136-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 DGAT1 428/4885PTGFR 530/4885PTGES 836/4885
US-20160280661-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 DGAT1 428/4885PTGFR 530/4885PTGES 836/4885

“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.