SCHEMBL2256100

SCHEMBL2256100

C[C@H](NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 5/20 0.59
CNR1 P21554 4/20 0.47
PHGDH O43175 1/20 0.47
KCNT1 Q5JUK3 1/20 0.44
CNR2 P34972 3/20 0.44
RXRA P19793 2/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
KLKB1 P03952 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2257513 1.00 CARM1 (0.59) CARM1CNR1PHGDHKCNT1CNR2
SCHEMBL2263024 0.94 CNR1 (0.53) CARM1CNR1PHGDHKCNT1CNR2
SCHEMBL2259952 0.93 CARM1 (0.52) CARM1CNR1PHGDHKCNT1CNR2
SCHEMBL2262183 0.88 CARM1 (0.47) CARM1CNR1RXRANR1H2NR1H3
SCHEMBL2259763 0.87 CARM1 (0.48) CARM1KLKB1LMNA
SCHEMBL15706917 0.85 CARM1 (0.46) CARM1CNR1RXRANR1H2NR1H3
SCHEMBL15706918 0.85 CARM1 (0.44) CARM1RXRANR1H2NR1H3KLKB1
SCHEMBL2364174 0.85 NPC1 (0.51) CARM1KLKB1
SCHEMBL2256348 0.84 CARM1 (0.48) CARM1RXRANR1H2NR1H3LMNA
SCHEMBL2258493 0.83 CARM1 (0.49) CARM1KLKB1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 CARM1 2887/4885CNR1 119/4885PHGDH 3813/4885

“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.