SCHEMBL256813

SCHEMBL256813

Cc1cccc(C(=O)c2ccccn2)c1C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.60
WNT3A P56704 2/20 0.60
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
LMNA P02545 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
GRM4 Q14833 1/20 0.44
KDM4E B2RXH2 1/20 0.44
BDKRB1 P46663 1/20 0.42

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
SCHEMBL13161971 0.88 CTNNB1 (0.66) CTNNB1WNT3ARAB9ANPC1LMNA
Acetic Acid SCHEMBL28429993 0.83 CTNNB1 (0.60) CTNNB1WNT3ARAB9ANPC1LMNA
SCHEMBL15197231 0.81 CTNNB1 (0.55) CTNNB1WNT3ARAB9ANPC1LMNA
SCHEMBL30048914 0.81 RAB9A (0.60) CTNNB1WNT3ARAB9ANPC1KMT2A
SCHEMBL28220488 0.81 KMT2A (0.51) CTNNB1WNT3ARAB9ANPC1NAPRT
Acetic Acid SCHEMBL31073934 0.81 CTNNB1 (0.57) CTNNB1WNT3ARAB9ANPC1LMNA
SCHEMBL12143400 0.79 KMT2A (0.55) CTNNB1WNT3ARAB9ANPC1LMNA
SCHEMBL257529 0.78 CTNNB1 (0.51) CTNNB1WNT3ARAB9ANPC1LMNA
SCHEMBL29515031 0.78 KMT2A (0.52) RAB9ANPC1LMNANAPRTKMT2A
SCHEMBL310386 0.78 KMT2A (0.52) RAB9ANPC1LMNANAPRTKMT2A

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 6 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-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
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.