SCHEMBL3512339

SCHEMBL3512339

CCOC(=O)C1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
LGMN Q99538 2/20 0.46
PDK2 Q15119 1/20 0.46
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
PDE6D O43924 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.41
PTK2 Q05397 1/20 0.41

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
SCHEMBL16328083 0.92 MAPT (0.40) MAPTLGMNPDK2MEN1BLM
SCHEMBL1283883 0.91 TDP1 (0.45) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL1283886 0.91 TDP1 (0.45) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL1283577 0.90 LGMN (0.44) MAPTLGMNPDK2MEN1KMT2A
SCHEMBL1284998 0.86 LGMN (0.41) MAPTLGMNPDK2MEN1KMT2A
SCHEMBL1284153 0.84 LGMN (0.45) MAPTLGMNPDK2MEN1KMT2A
SCHEMBL1284411 0.81 LGMN (0.46) MAPTLGMNPDK2MEN1BLM
SCHEMBL3512937 0.80 SMO (0.41) MAPTPDK2ALDH1A1KDM4EHTT
SCHEMBL1284033 0.79 ALDH1A1 (0.49) MAPTLGMNPDK2MEN1KMT2A
SCHEMBL3510111 0.78 MAPT (0.54) MAPTLGMNPDK2AURKAAURKB

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-8592463-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2013-11-26 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 MAPT 3104/4885LGMN 3960/4885PDK2 2304/4885

“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.