SCHEMBL13698108

SCHEMBL13698108

CC(C)(C)C1C(=O)Nc2ccc(C(N)=O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPK14 Q16539 1/20 0.34
PDPK1 O15530 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.33
PARP1 P09874 1/20 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
SCHEMBL13698188 0.77 PGR (0.51) POLBIDO1GAATHRBMAPT
SCHEMBL23869671 0.75 HTR7 (0.39) POLBHDAC1HDAC6MEN1KMT2A
SCHEMBL30080736 0.72 NQO2 (0.45) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL9376059 0.71 BRD4 (0.47) SMN1; SMN2ALDH1A1KDM4EBRD4BRPF1
SCHEMBL13698114 0.69 TSHR (0.38) SMN1; SMN2POLBALDH1A1KDM4EMEN1
SCHEMBL12056910 0.67 SIRT2 (0.50) SMN1; SMN2POLBALDH1A1KDM4EBRD4
SCHEMBL16997522 0.67 USP2 (0.36) ALDH1A1KDM4EBRD4MEN1KMT2A
SCHEMBL13698113 0.66 ALDH1A1 (0.48) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL19691113 0.66 SMYD3 (0.62) SMN1; SMN2ALDH1A1KDM4EPARP1GAA
SCHEMBL14172475 0.64 CREBBP (0.53) SMN1; SMN2ALDH1A1KDM4EBRD4BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 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-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 SMN1; SMN2 1119/4885POLB 1357/4885ALDH1A1 4117/4885

“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.