SCHEMBL1283577

SCHEMBL1283577

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.44
PDK2 Q15119 1/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 6/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 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
SCHEMBL3512339 0.90 MAPT (0.49) LGMNPDK2AURKAAURKBMAPT
SCHEMBL1284153 0.88 LGMN (0.45) LGMNPDK2AURKAAURKBMAPT
SCHEMBL1284998 0.88 LGMN (0.41) LGMNPDK2AURKAAURKBMAPT
SCHEMBL1284411 0.86 LGMN (0.46) LGMNPDK2AURKAAURKBMAPT
SCHEMBL1284033 0.84 ALDH1A1 (0.49) LGMNPDK2AURKAAURKBMAPT
SCHEMBL16328083 0.81 MAPT (0.40) LGMNPDK2MAPTTDP1MEN1
SCHEMBL1283886 0.81 TDP1 (0.45) MAPTALDH1A1TP53TDP1TSHR
SCHEMBL1283883 0.81 TDP1 (0.45) MAPTALDH1A1TP53TDP1TSHR
SCHEMBL1284398 0.78 MAPT (0.43) MAPTALDH1A1POLBTP53TDP1
SCHEMBL1284922 0.77 TBXA2R (0.40)

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 5 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
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP disclosed
EP-2440544-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2012-04-18 EP 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 2304/4885AURKA 2065/4885

“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.