SCHEMBL7023261

SCHEMBL7023261

O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
KMT2A Q03164 4/20 0.57
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.46
PDE10A Q9Y233 1/20 0.46
MEN1 O00255 3/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7022684 0.95 ALDH1A1 (0.73) ALDH1A1NPC1RAB9AKMT2ANPSR1
SCHEMBL7011889 0.95 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKMT2ANPSR1
SCHEMBL7103501 0.94 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AKMT2ANPSR1
SCHEMBL7017881 0.94 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AKMT2ANPSR1
SCHEMBL7018781 0.93 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AKMT2ANPSR1
SCHEMBL7026336 0.93 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AKMT2ANPSR1
SCHEMBL7020429 0.93 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AKMT2ANPSR1
SCHEMBL7023964 0.92 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AKMT2ANPSR1
SCHEMBL7021872 0.91 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKMT2ANPSR1
SCHEMBL7020235 0.91 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO claimed
US-9981913-B2 Liver X receptor (LXR) modulators RALEXAR THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-9981913-B2 Liver X receptor (LXR) modulators RALEXAR THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20160214943-A1 Liver X Receptor (LXR) Modulators RALEXAR THERAPEUTICS, INC. 2016-07-28 US disclosed
US-20160214943-A1 Liver X Receptor (LXR) Modulators RALEXAR THERAPEUTICS, INC. 2016-07-28 US disclosed
WO-2015035027-A1 LIVER X RECEPTOR (LXR) MODULATORS ALEXAR THERAPEUTICS, INC. (US) 2015-03-12 WO disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 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-20160214943-A1 Liver X Receptor (LXR) Modulators NR1H2, NR1H3, RXRB ALDH1A1 1132/4885NPC1 86/4885RAB9A 4076/4885

“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.