SCHEMBL20659270

SCHEMBL20659270

CCOC(=O)C(=O)c1ncccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.42
GRM4 Q14833 3/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP1 P29466 1/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1187172 0.84 BRD4 (0.60) BRD4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL29922777 0.84 BRD4 (0.60) BRD4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL457581 0.84 MAPT (0.54) BRD4ALDH1A1HSD17B10MAPTCYP1A2
SCHEMBL21940230 0.82 L3MBTL1 (0.45) ALDH1A1HSD17B10MAPTCYP1A2CYP3A4
SCHEMBL13460683 0.78 NAPRT (0.53) ALDH1A1HSD17B10MAPTCYP1A2CYP3A4
SCHEMBL2482284 0.75 BRD4 (0.43) BRD4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL1408357 0.74 MAPT (0.53) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL4244032 0.74 BRD4 (0.55) BRD4ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL27611622 0.73 ALDH1A1 (0.60) BRD4ALDH1A1HSD17B10MAPTCYP1A2
SCHEMBL5479636 0.72 CES2 (0.60) ALDH1A1HSD17B10MAPTCYP1A2CYP3A4

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
EP-3655398-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS Phenex-FXR GmbH (DE) 2020-05-27 EP disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
CN-110914248-A LXR modulators containing amines or (thio) amides 菲尼克斯-FXR股份有限公司 2020-03-24 CN disclosed
WO-2019016269-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2019-01-24 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 BRD4 551/4885ALDH1A1 2016/4885HSD17B10 335/4885

“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.