SCHEMBL1284033

SCHEMBL1284033

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 8/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LGMN Q99538 2/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDK2 Q15119 1/20 0.42
NPC1 O15118 3/20 0.42

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
SCHEMBL1284411 0.91 LGMN (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1284153 0.91 LGMN (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1283577 0.84 LGMN (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL15163328 0.81 LGMN (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3512339 0.79 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1284398 0.79 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL1284998 0.78 LGMN (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1284052 0.77 CRBN (0.39) ALDH1A1
SCHEMBL13050793 0.77 CRBN (0.39) ALDH1A1TDP1
SCHEMBL23327570 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E

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-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
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 ALDH1A1 2448/4885MEN1 3442/4885KMT2A 3040/4885

“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.