SCHEMBL2256348

SCHEMBL2256348

C[C@H](NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.48
HDAC3 O15379 1/20 0.46
CYP2C9 P11712 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
F10 P00742 1/20 0.43
PDE2A O00408 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
RXRA P19793 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41

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 0.84 CARM1 (0.59) CARM1LMNARXRANR1H2NR1H3
SCHEMBL2256100 0.84 CARM1 (0.59) CARM1LMNARXRANR1H2NR1H3
SCHEMBL2259820 0.83 TRPV1 (0.42) HDAC3CYP2C9HDAC1HDAC6TRPV1
SCHEMBL2263024 0.82 CNR1 (0.53) CARM1TRPV1RXRANR1H2NR1H3
SCHEMBL2259952 0.82 CARM1 (0.52) CARM1TRPV1
SCHEMBL2262183 0.81 CARM1 (0.47) CARM1HDAC6F10TRPV1RXRA
SCHEMBL14176998 0.81 CARM1 (0.42) CARM1F10TRPV1RXRANR1H2
SCHEMBL15706917 0.80 CARM1 (0.46) CARM1F10TRPV1RXRANR1H2
SCHEMBL2261205 0.77 CARM1 (0.44) CARM1F10TRPV1RXRANR1H2
SCHEMBL2258493 0.76 CARM1 (0.49) CARM1F10LMNA

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 8 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

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 2887/4885HDAC3 650/4885CYP2C9 123/4885

“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.