SCHEMBL779419

SCHEMBL779419

CCOC(=O)C1(O)CN(c2ccc(Br)cc2F)C(C(C)(C)c2c(Cl)cccc2Cl)=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
NOS2 P35228 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC22A12 Q96S37 1/20 0.33
PTGFR P43088 2/20 0.33
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32
NR1I2 O75469 1/20 0.32
RXRA P19793 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CMA1 P23946 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
GABRA2 P47869 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
SCHEMBL799659 0.83 RXRA (0.33) GAASMN1; SMN2SLC22A12PTGFRTP53
SCHEMBL10083887 0.77 TP53 (0.32) SLC22A12TP53THRBNR1I2RXRA
SCHEMBL778922 0.71 GABRA2 (0.50) NR1I2RXRANR1H2NR1H3GABRA2
SCHEMBL1437429 0.70 ALDH1A1 (0.36) ALDH1A1KDM4ENOS2SMN1; SMN2ALOX15
SCHEMBL9893993 0.67 MDM2 (0.43) ALDH1A1KDM4ENOS2SMN1; SMN2ALOX15
SCHEMBL1437343 0.65 KDM4E (0.40) ALDH1A1KDM4EGAASMN1; SMN2ALOX15
SCHEMBL1437524 0.65 MDM2 (0.40) ALDH1A1SMN1; SMN2L3MBTL1POLBGABRA2
SCHEMBL1437578 0.64 SMN1; SMN2 (0.45) ALDH1A1GAASMN1; SMN2TDP1TP53
SCHEMBL1437481 0.64 RXFP1 (0.42) ALDH1A1SMN1; SMN2TP53POLBGABRA2
SCHEMBL9894376 0.64 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2TDP1TP53THRB

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 11 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
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-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
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 ALDH1A1 1700/4885KDM4E 2633/4885GAA 1182/4885
US-20120071534-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 ALDH1A1 1700/4885KDM4E 2633/4885GAA 1182/4885
US-20150299136-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 ALDH1A1 1700/4885KDM4E 2633/4885GAA 1182/4885
US-20160280661-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 ALDH1A1 1700/4885KDM4E 2633/4885GAA 1182/4885

“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.