SCHEMBL16057403

SCHEMBL16057403

FC(F)Sc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MGLL Q99685 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
GRM5 P41594 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
C1S P09871 1/20 0.32
PARP1 P09874 1/20 0.32
MAOB P27338 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
SCHEMBL3093787 0.78 MAOA (0.55) MAOAALDH1A1MAPK1CA1CA2
SCHEMBL31275816 0.78 MAOA (0.55) MAOAALDH1A1MAPK1CA1CA2
SCHEMBL12778511 0.74 ACHE (0.46) ALDH1A1MAPK1DDB1CRBNLMNA
SCHEMBL31412109 0.74 MAOA (0.48) MAOAALDH1A1MAPK1CA1CA2
SCHEMBL3289392 0.74 MAOA (0.48) MAOAALDH1A1MAPK1CA1CA2
SCHEMBL29543964 0.74 MAOA (0.48) MAOAALDH1A1MAPK1CA1CA2
SCHEMBL223379 0.74 MAOA (0.48) MAOAALDH1A1MAPK1CA1CA2
SCHEMBL31337906 0.74 MAOA (0.48) MAOAALDH1A1MAPK1CA1CA2
SCHEMBL13137670 0.74 ALDH1A1 (0.38) ALDH1A1MAPK1LMNAMAPTPKM
SCHEMBL27925547 0.74 MAOA (0.50) MAOAALDH1A1MAPK1CA1CA2

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-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-9834542-B2 LXR modulators BRISTO-MYERS SQUIBB COMPANY (US) 2017-12-05 US disclosed
EP-2968275-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-29 EP disclosed
EP-2968275-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-29 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
US-9751869-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 US disclosed
US-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 US disclosed
US-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 US 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
US-20160289222-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 US disclosed
EP-2968275-A1 LXR MODULATORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
WO-2014144037-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 WO disclosed
WO-2014144037-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 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 (2 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 MAOA 4278/4885ALDH1A1 2506/4885MAPK1 791/4885
US-20160304499-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 MAOA 4351/4885ALDH1A1 3047/4885MAPK1 1123/4885

“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.