SCHEMBL3471314

SCHEMBL3471314

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCN(CCc2cccs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.45
▸ NR1H2 P55055 3/20 0.45
▸ NR1H3 Q13133 3/20 0.45
▸ NR3C2 P08235 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ DRD2 P14416 3/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ADAM10 O14672 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ KCNA5 P22460 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ DRD4 P21917 1/20 0.37

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
SCHEMBL2257006 0.87 KCNA5 (0.42) NR3C2NPSR1HTTDRD2DRD3
SCHEMBL3474534 0.87 RXRA (0.50) RXRANR1H2NR1H3NR3C2HTT
SCHEMBL3474117 0.86 RXRA (0.53) RXRANR1H2NR1H3NR3C2DRD2
SCHEMBL3471233 0.85 RXRA (0.56) RXRANR1H2NR1H3NR3C2ALDH1A1
SCHEMBL3471936 0.83 RXRA (0.50) RXRANR1H2NR1H3NR3C2NPSR1
SCHEMBL3471685 0.83 RXRA (0.55) RXRANR1H2NR1H3NR3C2DRD2
SCHEMBL3475489 0.82 RXRA (0.47) RXRANR1H2NR1H3NR3C2HTT
SCHEMBL3470736 0.82 RXRA (0.56) RXRANR1H2NR1H3NR3C2PKM
SCHEMBL3472549 0.82 RXRA (0.56) RXRANR1H2NR1H3NR3C2
SCHEMBL3471325 0.81 RXRA (0.52) RXRANR1H2NR1H3NR3C2

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 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.

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