SCHEMBL3396830

SCHEMBL3396830

CC(C)CC(=O)Nc1cnc(Nc2ccccc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
LMNA P02545 2/20 0.58
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK13 O15264 3/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
MAPK14 Q16539 3/20 0.48
KDR P35968 1/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTPN1 P18031 1/20 0.46
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CDK5 Q00535 2/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL3395871 0.77 EPHX2 (0.58) HPGDKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3394448 0.77 SMN1; SMN2 (0.58) HPGDLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL24953869 0.75 MEN1 (0.55) HPGDLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL2367246 0.74 TNIK (0.65) HPGDLMNAKMT2AMAPT
SCHEMBL3021548 0.74 LMNA (0.86) HPGDLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL3393541 0.72 CACNA1B (0.56) HPGDKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3398516 0.72 RAB9A (0.58) LMNAKMT2ASMN1; SMN2MAPK13MAPK12
SCHEMBL3394933 0.72 CSNK2A2 (0.60) LMNAKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3390828 0.72 MEN1 (0.56) LMNAKMT2ASMN1; SMN2MAPK13MAPK12
SCHEMBL11590223 0.71 CCNE1 (0.57) HPGDKMT2AALDH1A1SMN1; SMN2KDM4E

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-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 HPGD 2756/4885LMNA 4362/4885KMT2A 831/4885

“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.