SCHEMBL2388010

SCHEMBL2388010

Cc1ccc(Cn2c(-c3ccc(Oc4nccnc4Cl)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.54
NR1H3 Q13133 4/20 0.54
RXRA P19793 3/20 0.54
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
EIF4EBP1 Q13541 1/20 0.35
HPGD P15428 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CNR1 P21554 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL2386384 0.91 NR1H2 (0.46) NR1H2NR1H3RXRAKCNH2ALDH1A1
SCHEMBL2389387 0.89 RXRA (0.55) NR1H2NR1H3RXRAKCNH2AR
SCHEMBL2266726 0.88 NR1H2 (0.65) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2391160 0.88 NR1H2 (0.43) NR1H2NR1H3RXRAKCNH2ALDH1A1
SCHEMBL2387415 0.87 NR1H2 (0.59) NR1H2NR1H3RXRAKCNH2ALDH1A1
SCHEMBL12390653 0.85 NR1H2 (0.60) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2387980 0.85 NR1H2 (0.53) NR1H2NR1H3RXRAKCNH2ALDH1A1
SCHEMBL2262290 0.85 NR1H2 (0.62) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2262577 0.85 NR1H2 (0.62) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2262136 0.85 NR1H2 (0.60) NR1H2NR1H3RXRAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US claimed
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 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 (3 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 NR1H2 1/4885NR1H3 3/4885RXRA 20/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885

“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.