SCHEMBL12418685

SCHEMBL12418685

CC(C)C(=O)c1ccc(-c2ccc(C(=O)C(C)C)cn2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.57
P4HA1 P13674 2/20 0.57
KDM4E B2RXH2 1/20 0.47
DBH P09172 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
LDHA P00338 1/20 0.44
BAZ2B Q9UIF8 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
HCAR3 P49019 4/20 0.41
NPC1 O15118 2/20 0.41
NAPRT Q6XQN6 1/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL10060485 0.83 P4HTM (0.50) P4HTMP4HA1KDM4EDBHGAA
SCHEMBL25912786 0.82 P4HTM (0.41) P4HTMP4HA1KDM4EDBHGAA
SCHEMBL14519853 0.82 NAPRT (0.62) KDM4EDBHGAARECQLNPC1
SCHEMBL30530049 0.82 NAPRT (0.62) KDM4EDBHGAARECQLNPC1
SCHEMBL8006507 0.82 HDAC1 (0.56) KDM4EDBHGAARECQLHCAR3
SCHEMBL24663641 0.81 RXFP1 (0.71) KDM4ELDHARXFP1NPC1RAB9A
SCHEMBL25912773 0.81 P4HTM (0.54) P4HTMKDM4ELDHABAZ2BNPC1
SCHEMBL13890820 0.81 ADORA3 (0.41) P4HTMP4HA1KDM4EGAALDHA
SCHEMBL5433303 0.80 KDM4E (0.44) P4HTMP4HA1KDM4EDBHGAA
SCHEMBL13890796 0.80 KDM4E (0.44) P4HTMP4HA1KDM4EDBHGAA

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-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-07-14 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-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC7 P4HTM 3705/4885P4HA1 2732/4885KDM4E 3173/4885

“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.