SCHEMBL4246459

SCHEMBL4246459

CC(C)c1nc2ccc(C=O)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.46
SCN10A Q9Y5Y9 5/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 2/20 0.44
HPGD P15428 1/20 0.44
CYP2A6 P11509 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MLKL Q8NB16 1/20 0.40
POLB P06746 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL5031668 0.87 HSD17B10 (0.53) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL4230805 0.78 ALDH1A1 (0.56) KDM4EHSD17B10ALDH1A1HPGDCYP2A6
SCHEMBL18776138 0.77 KDM4E (0.53) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL5031699 0.77 KDM4E (0.61) KDM4ECYP1A2ALDH1A1CYP2A6KMT2A
SCHEMBL6985209 0.77 KDM4E (0.42) KDM4ELMNAHSD17B10ALDH1A1KIF11
SCHEMBL798790 0.76 SCN10A (0.69) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL890080 0.76 CYP1A2 (0.75) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL12248517 0.75 PLAU (0.56) ALDH1A1CYP2A6MEN1KMT2AKIF11
SCHEMBL7245711 0.75 CYP2A6 (0.44) KDM4ELMNAALDH1A1HPGDCYP2A6
SCHEMBL14197238 0.75 KDM4E (0.57) KDM4ELMNAHSD17B10CYP1A2SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 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 (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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 KDM4E 2565/4885LMNA 1240/4885HSD17B10 920/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KDM4E 3686/4885LMNA 4788/4885HSD17B10 3245/4885

“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.