SCHEMBL3512937

SCHEMBL3512937

CC(C)(C)OC(=O)n1c(-c2cc(N3CCC4(CC3)OCCO4)ccc2Cl)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.41
CCR5 P51681 5/20 0.40
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PDK2 Q15119 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL13033405 0.81 SMO (0.51) SMOKDM4EALDH1A1NPC1LMNA
SCHEMBL3512339 0.80 MAPT (0.49) KDM4EALDH1A1PDK2MAPTHTT
SCHEMBL16328083 0.78 MAPT (0.40) SMOCCR5BRD4CREBBPHSD17B10
SCHEMBL28343829 0.77 SMO (0.57) SMOCCR5CNR1CNR2PDK2
SCHEMBL1284738 0.77 PDE2A (0.45) LMNAPDE2A
SCHEMBL15557953 0.77 PDE2A (0.43) CCR5KDM4ENPC1LMNARAB9A
SCHEMBL1283886 0.76 TDP1 (0.45) KDM4EALDH1A1HSD17B10NPC1LMNA
SCHEMBL1283883 0.76 TDP1 (0.45) KDM4EALDH1A1HSD17B10NPC1LMNA
SCHEMBL15558053 0.75 CYP2C9 (0.45) BRD4LMNAGAAMAPTPDE2A
SCHEMBL16328101 0.75 MAPKAPK2 (0.40) KDM4EPDK2

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-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
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
EP-2227456-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2010-09-15 EP disclosed
WO-2009074300-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2009-06-18 WO disclosed
WO-2009074300-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2009-06-18 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO SMO 3/4885CCR5 2803/4885BRD4 458/4885

“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.