SCHEMBL12435957

SCHEMBL12435957

CCC(=O)Nc1cc(C(=O)Nc2cc(OC)ncn2)ccc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
RPS6KA2 Q15349 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
TP53 P04637 4/20 0.42
KMT2A Q03164 3/20 0.42
HCK P08631 1/20 0.41
GCK P35557 1/20 0.41
NR2C2 P49116 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
AHR P35869 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
STAT1 P42224 1/20 0.40
PKM P14618 1/20 0.40
CDK9 P50750 1/20 0.39
EGFR P00533 2/20 0.39

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
SCHEMBL12435943 0.84 NPC1 (0.58) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL12435969 0.81 MAPKAPK2 (0.43) RPS6KA2SMN1; SMN2NPC1RAB9ATP53
SCHEMBL19151023 0.79 ADORA3 (0.53) HDAC1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL12436031 0.77 MAPK1 (0.57) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL12435962 0.75 MAPT (0.49) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL12435909 0.75 ATM (0.52) SMN1; SMN2TP53KMT2AMAPTMAPK1
SCHEMBL12435951 0.74 RXFP1 (0.60) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL12436030 0.74 MEN1 (0.58) HDAC1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL12435965 0.73 KMT2A (0.56) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL12435991 0.73 MAPT (0.47) SMN1; SMN2NPC1RAB9ATP53KMT2A

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 HDAC1 1555/4885RPS6KA2 3311/4885SMN1; 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.