SCHEMBL257529

SCHEMBL257529

COCc1c(C)cccc1C(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.51
WNT3A P56704 1/20 0.51
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.40
HTT P42858 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
TNF P01375 1/20 0.40
CDK5 Q00535 1/20 0.40
KLF5 Q13887 1/20 0.40
CDK5R1 Q15078 1/20 0.40

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
SCHEMBL15197231 0.85 CTNNB1 (0.55) CTNNB1WNT3ARAB9ANPC1SMN1; SMN2
SCHEMBL13161971 0.79 CTNNB1 (0.66) CTNNB1WNT3ARAB9ANPC1SMN1; SMN2
SCHEMBL256813 0.78 CTNNB1 (0.60) CTNNB1WNT3ARAB9ANPC1SMN1; SMN2
SCHEMBL257537 0.76 NPC1 (0.42) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
Acetic Acid SCHEMBL28429993 0.75 CTNNB1 (0.60) CTNNB1WNT3ARAB9ANPC1SMN1; SMN2
SCHEMBL7950519 0.75 CTNNB1 (0.50) CTNNB1WNT3ARAB9ANPC1SMN1; SMN2
SCHEMBL16280257 0.75 ALDH1A1 (0.52) MAPK1KDM4EKMT2ALMNANAPRT
SCHEMBL30048914 0.73 RAB9A (0.60) CTNNB1WNT3ARAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL31073934 0.73 CTNNB1 (0.57) CTNNB1WNT3ARAB9ANPC1SMN1; SMN2
SCHEMBL9525840 0.72 RAB9A (0.71) RAB9ANPC1SMN1; SMN2KDM4EKMT2A

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-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 CTNNB1 2325/4885WNT3A 3875/4885RAB9A 361/4885

“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.