SCHEMBL1254366

SCHEMBL1254366

COC(=O)c1cc(-c2ccccc2)cn1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.54
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
BRD4 O60885 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
PKM P14618 1/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
LDHA P00338 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
EGFR P00533 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TP53 P04637 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL12582220 0.85 NR4A2 (0.46) NR4A2POLBKMT2ACYP1A2CYP2C19
SCHEMBL16115993 0.84 CCNC (0.68) NR4A2CYP1A2CYP2C19PKMCCNC
SCHEMBL2025582 0.84 CCNC (0.48) NR4A2MEN1POLBKMT2ABRD4
SCHEMBL1126661 0.83 P2RY12 (0.51) MEN1POLBKMT2ABRD4CYP1A2
SCHEMBL1126815 0.82 BRD4 (0.58) NR4A2MEN1POLBKMT2ABRD4
SCHEMBL31454214 0.82 NR4A2 (0.59) NR4A2CYP2C19CCNCCDK8GABRA1
SCHEMBL17266950 0.81 MAPT (0.45) NR4A2KMT2ABRD4CYP1A2CYP2C19
SCHEMBL16691882 0.81 CYP1A2 (0.44) NR4A2CYP1A2CYP2C19PKMCCNC
Biphenyl SCHEMBL27274937 0.80 KDM4E (0.48) NR4A2MEN1POLBKMT2ABRD4
SCHEMBL14252698 0.79 LDHA (0.45) NR4A2MEN1POLBKMT2ACYP1A2

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
US-8268862-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20110152254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-7893086-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-20090105246-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-23 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 (2 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-20110152254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NR4A2 1611/4885MEN1 3137/4885POLB 1951/4885
US-20090105246-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 NR4A2 1611/4885MEN1 3137/4885POLB 1951/4885

“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.