SCHEMBL16102191

SCHEMBL16102191

O=Cc1cc(Br)ccc1-n1ccc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
PRMT6 Q96LA8 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NT5E P21589 1/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
PTGS2 P35354 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
IDH1 O75874 2/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
IDH2 P48735 1/20 0.32
GRM2 Q14416 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL28052675 0.80 NPC1 (0.44) PRMT6PDE3BPDE3AMAPTNPC1
SCHEMBL16104947 0.76 KDM4E (0.39) ERN1NT5EMAPTPTGS2HCAR1
SCHEMBL30816599 0.75 KDM4E (0.41) PRMT6PDE3BPDE3AMAPTNPC1
SCHEMBL16103501 0.75 NT5E (0.36) ERN1NT5EPTGS2HCAR1
SCHEMBL16103096 0.74 ERN1 (0.37) ERN1NPC1RAB9APTGS2POLB
SCHEMBL16057594 0.72 PTGS2 (0.41) ERN1NT5EPTGS2HCAR1
SCHEMBL15299351 0.71 NPC1 (0.52) PRMT6MAPTNPC1RAB9APTGS2
SCHEMBL3480539 0.69 MAPT (0.46) PRMT6MAPTNPC1RAB9APTGS2
SCHEMBL16100497 0.69 ALDH1A1 (0.46) MAPTPOLBPTGDR2
SCHEMBL17633620 0.69 NPC1 (0.45) PRMT6MAPTNPC1RAB9APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 EP disclosed
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 EP disclosed
EP-2967073-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP disclosed
EP-2967073-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP disclosed
US-9751869-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 US disclosed
US-9751869-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 US disclosed
CN-105188380-B LXR conditioning agents 百时美施贵宝公司 2017-08-15 CN disclosed
US-20160289222-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 US disclosed
US-20160289222-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 US disclosed
EP-2967073-A1 LXR MODULATORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
CN-105188380-A LXR modulators BRISTOL MYERS SQUIBB CO 2015-12-23 CN disclosed
WO-2014152738-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 WO disclosed
WO-2014152738-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 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-20160289222-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 ERN1 1339/4885PRMT6 2631/4885PDE3B 1539/4885

“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.