SCHEMBL12435969

SCHEMBL12435969

CCC(=O)Nc1cc(C(=O)Nc2ccncn2)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.43
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAPT P10636 2/20 0.40
RPS6KA2 Q15349 1/20 0.40
MAPK1 P28482 2/20 0.38
IDE P14735 1/20 0.38
LCK P06239 1/20 0.38
ROCK2 O75116 1/20 0.38
ADORA2A P29274 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL17507488 0.83 MAPT (0.51) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL12435957 0.81 HDAC1 (0.46) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL12435955 0.77 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL6361625 0.77 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATP53CHRNB2
SCHEMBL12436030 0.76 MEN1 (0.58) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL12435965 0.76 KMT2A (0.56) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL12435943 0.74 NPC1 (0.58) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL12436028 0.73 MAPT (0.58) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL12435954 0.72 KMT2A (0.55) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL12436031 0.72 MAPK1 (0.57) SMN1; SMN2NPC1RAB9ATP53MAPT

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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 MAPKAPK2 3501/4885NAMPT 2779/4885SMN1; SMN2 4598/4885

“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.