SCHEMBL328087

SCHEMBL328087

O=C(O)C1=CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccc(OC(=O)c3ccc(F)cc3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.58
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL275606 0.89 NR1H4 (0.76) NR1H4MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL273500 0.83 NR1H4 (0.73) NR1H4CDK4CCND1ABCB1ABCG2
SCHEMBL29881430 0.83 NR1H4 (0.73) NR1H4CDK4CCND1ABCB1ABCG2
SCHEMBL275399 0.82 NR1H4 (0.75) NR1H4CDK4CCND1ABCB1ABCG2
SCHEMBL328083 0.82 NR1H4 (0.52) NR1H4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5732451 0.81 NR1H4 (0.52) NR1H4MAPTABCB1ABCG2ALDH1A1
SCHEMBL273824 0.80 NR1H4 (0.77) NR1H4MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL273865 0.79 NR1H4 (0.84) NR1H4MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL274538 0.77 NR1H4 (0.75) NR1H4MAPTSMN1; SMN2ABCB1ABCG2
SCHEMBL273929 0.77 NR1H4 (0.61) NR1H4CDK4CCND1ABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 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-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885CDK4 1220/4885CCND1 3537/4885

“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.