SCHEMBL3472450

SCHEMBL3472450

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCCC1c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXRA P19793 2/20 0.45
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPBAR1 Q8TDU6 6/20 0.43
JAK1 P23458 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL3473191 0.92 RXRA (0.49) RXRANR1H2NR1H3SCDNR3C2
SCHEMBL3472589 0.89 RXRA (0.48) RXRANR1H2NR1H3NR3C2CNR1
SCHEMBL3472851 0.89 RXRA (0.51) RXRANR1H2NR1H3JAK1SCD
SCHEMBL3471585 0.88 RXRA (0.47) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3475148 0.88 RXRA (0.47) RXRANR1H2NR1H3JAK1NR3C2
SCHEMBL3473959 0.88 CNR1 (0.53) RXRANR1H2NR1H3JAK1NR3C2
SCHEMBL3474064 0.87 RXRA (0.48) LMNAMAPTRXRANR1H2NR1H3
SCHEMBL3472995 0.87 RXRA (0.46) RXRANR1H2NR1H3JAK1NR3C2
SCHEMBL3473659 0.86 RXRA (0.47) RXRANR1H2NR1H3JAK1NR3C2
SCHEMBL3471554 0.85 SCD5 (0.47) RXRANR1H2NR1H3NPSR1SCD

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
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 TDP1 3914/4885KDM4E 1934/4885ALDH1A1 1487/4885

“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.