SCHEMBL4114971

SCHEMBL4114971

COC(C)c1ccccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.51
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
METAP2 P50579 1/20 0.41
CTNNB1 P35222 1/20 0.41
BCAT2 O15382 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CFTR P13569 1/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.38
MEN1 O00255 2/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL17786090 0.84 IRAK4 (0.44) IRAK4HTTALDH1A1HSD17B10MAPT
SCHEMBL10578634 0.83 ALDH1A1 (0.51) HTTALDH1A1HSD17B10MAPTTSHR
SCHEMBL8380942 0.83 IRAK4 (0.49) IRAK4HTTALDH1A1HSD17B10MAPT
SCHEMBL31632660 0.82 IRAK4 (0.55) IRAK4HTTALDH1A1HSD17B10MAPT
SCHEMBL105262 0.82 IRAK4 (0.55) IRAK4HTTALDH1A1HSD17B10MAPT
SCHEMBL28477237 0.81 IRAK4 (0.47) IRAK4HTTALDH1A1HSD17B10MAPT
SCHEMBL4180612 0.81 IRAK4 (0.51) IRAK4HTTALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL28294057 0.80 IRAK4 (0.53) IRAK4HTTALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL7849679 0.80 IRAK4 (0.53) IRAK4HTTALDH1A1HSD17B10MAPT
SCHEMBL9783644 0.80 IRAK4 (0.53) IRAK4HTTALDH1A1HSD17B10MAPT

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-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US disclosed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO 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-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 IRAK4 499/4885HTT 1539/4885ALDH1A1 1727/4885

“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.