SCHEMBL4244757

SCHEMBL4244757

CC(C)(C)N(Cc1nc2cc(C=O)ccc2[nH]1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPT P10636 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL7478096 0.79 MEN1 (0.50) TDP1KDM4EMAPTHSD17B10MEN1
SCHEMBL23522705 0.78 PRKAG1 (0.56) HTTGAAPRKAG1PRKAA2PRKAA1
SCHEMBL7649873 0.75 TDP1 (0.47) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL942814 0.72 MEN1 (0.51) TDP1HDAC3HDAC6MAPTHTT
SCHEMBL13991769 0.71 GAA (0.62) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4246422 0.71 MAPT (0.50) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4245924 0.71 SMN1; SMN2 (0.33) MAPTHSD17B10HTTALDH1A1GAA
SCHEMBL7654751 0.71 HTT (0.64) CYP2C9HTTALDH1A1GAASMN1; SMN2
SCHEMBL1715539 0.71 HRH4 (0.41) TDP1MAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30103090 0.70 HDAC3 (0.44) TDP1HDAC3HDAC4HDAC1HDAC7

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 TDP1 729/4885CYP1A2 4603/4885CYP2C9 4880/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA TDP1 549/4885CYP1A2 2530/4885CYP2C9 1814/4885

“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.