SCHEMBL3471268

SCHEMBL3471268

O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
NPSR1 Q6W5P4 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.48
MMP1 P03956 1/20 0.48
GAA P10253 4/20 0.48
KDR P35968 1/20 0.46
SRPK2 P78362 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
SRPK3 Q9UPE1 1/20 0.46

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
SCHEMBL3474130 0.91 KDM4E (0.53) TDP1RXRANR1H2NR1H3POLB
SCHEMBL3472951 0.89 RXRA (0.56) RXRANR1H2NR1H3POLBALDH1A1
SCHEMBL3473078 0.88 MAPT (0.54) KMT2AMEN1TDP1RXRANR1H2
SCHEMBL14623306 0.87 RXRA (0.52) RXRANR1H2NR1H3POLBMAPT
SCHEMBL3471717 0.86 RXRA (0.52) RXRANR1H2NR1H3POLBMAPT
SCHEMBL14624090 0.86 RXRA (0.53) RXRANR1H2NR1H3POLBMAPT
SCHEMBL3475539 0.86 RXRA (0.56) KMT2AMEN1RXRANR1H2NR1H3
SCHEMBL3471907 0.86 RXRA (0.53) KMT2AMEN1NPSR1RXRANR1H2
SCHEMBL3474968 0.86 RXRA (0.53) KMT2AMEN1RXRANR1H2NR1H3
SCHEMBL3472854 0.85 RXRA (0.55) RXRANR1H2NR1H3POLBMAPT

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 6 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

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 KMT2A 2663/4885MEN1 3666/4885NPSR1 371/4885

“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.