SCHEMBL661659

SCHEMBL661659

NC(=O)CN1C=CCC(c2cc(-c3ccc(O)cc3)[nH]n2)=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
CA12 O43570 1/20 0.34
ALPL P05186 1/20 0.34
TNIK Q9UKE5 7/20 0.34
ASIC1 P78348 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31

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
SCHEMBL297567 0.74 APP (0.36) APPCA12ALPLTNIKASIC1
SCHEMBL1180654 0.66 APP (0.69) APPCA12ALPLTNIKASIC1
SCHEMBL23820015 0.63 APP (0.59) APPCA12ALPLTNIKPOLB
SCHEMBL17943310 0.63 APP (0.55) APPTNIKKDM4ELMNAPOLB
Caricotamide SCHEMBL6546956 0.61 LDHA (0.37) KDM4ERAB9A
SCHEMBL13885580 0.61 RAB9A (0.79) APPCA12ALPLKDM4ELMNA
SCHEMBL9976037 0.60 RAB9A (0.67) APPCA12ALPLLMNAPOLB
SCHEMBL9048096 0.60 KMT2A (0.64) APPCA12ALPLLMNAPOLB
SCHEMBL935948 0.60 BCHE (0.55) APPCA12ALPLKDM4ELMNA
SCHEMBL70360 0.60 CA12 (0.53) CA12ALPLTNIKPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT APP 15/4885CA12 4616/4885ALPL 2562/4885

“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.