SCHEMBL13462465

SCHEMBL13462465

C=C(O)c1cn(Cc2ccccc2Cl)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 16/20 0.51
▸ NR1H3 Q13133 14/20 0.51
▸ RXRA P19793 10/20 0.51
▸ SLC16A3 O15427 1/20 0.45
▸ SLC16A1 P53985 1/20 0.45
▸ MCTS1 Q9ULC4 1/20 0.45
▸ SDHB P21912 1/20 0.42
▸ RORC P51449 1/20 0.39
▸ SCD O00767 1/20 0.39

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
SCHEMBL3571178 0.84 NR1H2 (0.66) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3574833 0.77 NR1H2 (0.62) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL27733829 0.70 BRD4 (0.47) NR1H2NR1H3
SCHEMBL3584334 0.70 NR1H2 (0.71) NR1H2NR1H3RXRA
SCHEMBL3577322 0.69 NR1H2 (0.73) NR1H2NR1H3RXRA
SCHEMBL3578604 0.69 NR1H2 (0.72) NR1H2NR1H3RXRA
SCHEMBL2257516 0.69 NR1H2 (0.60) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL15988525 0.68 NR1H2 (0.56) NR1H2NR1H3RXRA
SCHEMBL1482090 0.68 NPC1 (0.44) NR1H2NR1H3RXRA
SCHEMBL3575818 0.68 NR1H2 (0.88) NR1H2NR1H3RXRASLC16A3SLC16A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 — — 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-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885RXRA 17/4885

“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.

Send feedback