SCHEMBL104339

SCHEMBL104339

CC(C)c1cccc(C(=O)NCCCN(C)C)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.71
TP53BP1 Q12888 1/20 0.67
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
FYN P06241 1/20 0.50
SIGMAR1 Q99720 5/20 0.49
TMEM97 Q5BJF2 4/20 0.49
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
TOP2A P11388 1/20 0.47
NAMPT P43490 1/20 0.47
OPRM1 P35372 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL26378204 0.92 HPGD (0.64) HPGDTP53BP1KDM4EALDH1A1HSD17B10
SCHEMBL11994517 0.92 TP53BP1 (0.62) HPGDTP53BP1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL26378200 0.86 HPGD (0.70) HPGDTP53BP1FYN
SCHEMBL26378195 0.86 HPGD (0.70) HPGDTP53BP1KDM4EALDH1A1HSD17B10
SCHEMBL21345718 0.84 TP53BP1 (0.67) HPGDTP53BP1KDM4EALDH1A1HSD17B10
SCHEMBL27317323 0.84 PARP1 (0.59) HPGDTP53BP1FYN
SCHEMBL23490253 0.83 TP53BP1 (0.70) HPGDTP53BP1HSD17B10SMN1; SMN2KMT2A
SCHEMBL18232445 0.83 TP53BP1 (0.70) HPGDTP53BP1HSD17B10SMN1; SMN2KMT2A
SCHEMBL10080947 0.83 TP53BP1 (0.70) HPGDTP53BP1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL842218 0.82 NPC1 (0.59) HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
WO-2010030967-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH LLC (US) 2010-03-18 WO disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 HPGD 4110/4885TP53BP1 3916/4885KDM4E 2800/4885
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA HPGD 2472/4885TP53BP1 2082/4885KDM4E 728/4885

“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.