SCHEMBL1284411

SCHEMBL1284411

CCOC(=O)C1CCN(c2ccc(F)c(-c3nc4cc(C)ccc4n3C(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.46
PDK2 Q15119 1/20 0.44
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
POLB P06746 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GPR119 Q8TDV5 2/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1284153 0.93 LGMN (0.45) LGMNPDK2MAPTALDH1A1AURKA
SCHEMBL1284033 0.91 ALDH1A1 (0.49) LGMNPDK2MAPTALDH1A1AURKA
SCHEMBL15163328 0.89 LGMN (0.49) LGMNPDK2MAPTALDH1A1AURKA
SCHEMBL1283577 0.86 LGMN (0.44) LGMNPDK2MAPTALDH1A1AURKA
SCHEMBL1284998 0.86 LGMN (0.41) LGMNPDK2MAPTALDH1A1AURKA
SCHEMBL3512339 0.81 MAPT (0.49) LGMNPDK2MAPTALDH1A1AURKA
SCHEMBL13050477 0.76 ALOX5AP (0.36) NR1H2
SCHEMBL1284447 0.76 CCNB2 (0.39) MAPTNR1H2
SCHEMBL3512952 0.75 PDK2 (0.49) PDK2MAPTALDH1A1GPR119MEN1
SCHEMBL16328101 0.75 MAPKAPK2 (0.40) PDK2GPR119MEN1KMT2ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP disclosed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
WO-2010142426-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-12-16 WO 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO LGMN 3960/4885PDK2 2304/4885MAPT 3104/4885

“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.