SCHEMBL2260957

SCHEMBL2260957

Cc1cccc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2cc(F)ccc2F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.58
NR1H2 P55055 3/20 0.58
NR1H3 Q13133 3/20 0.58
ALDH1A1 P00352 8/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
AR P10275 1/20 0.41
KDM4E B2RXH2 8/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.38
GNRHR P30968 1/20 0.37
GAA P10253 3/20 0.36
HTT P42858 2/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL2263492 0.92 RXRA (0.68) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2263904 0.90 RXRA (0.55) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2264935 0.90 RXRA (0.57) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2263323 0.89 RXRA (0.55) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2264759 0.89 RXRA (0.71) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2267957 0.88 RXRA (0.53) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2266743 0.87 RXRA (0.52) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2265353 0.87 RXRA (0.51) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2264655 0.86 KDM4E (0.55) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2263680 0.86 RXRA (0.52) RXRANR1H2NR1H3ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 RXRA 16/4885NR1H2 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.