SCHEMBL3470812

SCHEMBL3470812

COc1ccccc1N1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
POLB P06746 3/20 0.57
TACR3 P29371 5/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 3/20 0.54
TACR2 P21452 3/20 0.54
TACR1 P25103 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
LMNA P02545 3/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.51
RECQL P46063 1/20 0.51
HTT P42858 1/20 0.51
RXRA P19793 1/20 0.50

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
SCHEMBL3472696 0.88 PTGS2 (0.52) MEN1KMT2ACYP3A4CYP2C9CYP1A2
SCHEMBL3471504 0.88 KDM4E (0.52) MEN1KMT2APOLBLMNATSHR
SCHEMBL3471846 0.88 RXRA (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3472568 0.88 RXRA (0.51) MEN1KMT2ATACR3SMN1; SMN2ALDH1A1
SCHEMBL3472262 0.87 MAPT (0.52) KMT2APOLBCYP3A4CYP2C9CYP1A2
SCHEMBL3471233 0.86 RXRA (0.56) POLBSMN1; SMN2ALDH1A1RXRANR1H2
SCHEMBL3472038 0.86 RXRA (0.58) POLBSMN1; SMN2ALDH1A1MAPTRXRA
SCHEMBL3470736 0.85 RXRA (0.56) MAPTRXRANR1H2NR1H3MAPK1
SCHEMBL3472549 0.85 RXRA (0.56) MEN1KMT2APOLBLMNATSHR
SCHEMBL3471931 0.85 RXRA (0.49) MEN1KMT2ATACR3SMN1; SMN2ALDH1A1

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 MEN1 3666/4885KMT2A 2663/4885POLB 3735/4885

“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.