SCHEMBL1283883

SCHEMBL1283883

CCOC(=O)[C@@H]1CCCN(c2ccc(Cl)c(-c3nc4ccccc4n3C(=O)OC(C)(C)C)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 7/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
CASP1 P29466 1/20 0.43
MMP13 P45452 1/20 0.43
CASP7 P55210 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1283886 1.00 TDP1 (0.45) TDP1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL16328083 0.92 MAPT (0.40) TDP1HSD17B10MAPTKMT2AMEN1
SCHEMBL3512339 0.91 MAPT (0.49) TDP1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL1284998 0.87 LGMN (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL1624615 0.86 SMO (0.50) TDP1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL1283577 0.81 LGMN (0.44) TDP1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL1284576 0.79 TDP1 (0.51) TDP1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL1284572 0.79 TDP1 (0.51) TDP1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL13033426 0.77 SMO (0.50) KDM4EMAPTKMT2ANPSR1MEN1
SCHEMBL3512937 0.76 SMO (0.41) HSD17B10ALDH1A1KDM4EMAPTLMNA

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 6 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
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
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 TDP1 4712/4885HSD17B10 3156/4885ALDH1A1 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.