SCHEMBL13033503

SCHEMBL13033503

CC(C)C(=O)N1CCN(c2cccc(-c3nc4ccccc4[nH]3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 2/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPBWR1 P48145 1/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
ATM Q13315 1/20 0.48
ACHE P22303 1/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL13033499 0.88 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13033511 0.83 PDE3B (0.54) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13033545 0.83 MAPT (0.53) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13033498 0.83 LMNA (0.64) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13033504 0.82 USP2 (0.58) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3509805 0.82 VCP (0.52) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13033488 0.82 LMNA (0.51) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13033494 0.81 ALDH1A1 (0.58) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3508030 0.81 LMNA (0.62) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13033508 0.81 ACHE (0.58) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO KDM4E 3170/4885SMN1; SMN2 2687/4885ALDH1A1 2448/4885

“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.