SCHEMBL3565815

SCHEMBL3565815

CC(C)(C)OC(=O)NCCNCc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 2/20 0.53
HPGD P15428 2/20 0.52
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL30932891 0.89 SMN1; SMN2 (0.75) SMN1; SMN2HSD17B10HPGDMEN1KMT2A
SCHEMBL28496847 0.86 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL31248363 0.83 SMN1; SMN2 (0.63) SMN1; SMN2HSD17B10HPGDKMT2AALDH1A1
SCHEMBL3556016 0.81 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10HPGDMEN1KMT2A
SCHEMBL6288822 0.80 TAAR1 (0.50) SMN1; SMN2HSD17B10HPGDMEN1KMT2A
SCHEMBL22604937 0.80 CD274 (0.53) MEN1KMT2AHTTGAATDP1
SCHEMBL30627676 0.79 MAPT (0.57) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL14129641 0.78 TSHR (0.57) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL25022061 0.77 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10HPGDMEN1KMT2A
SCHEMBL25132031 0.77 TAAR1 (0.58) SMN1; SMN2HPGDGAARAB9ANPC1

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 US 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 SMN1; SMN2 4446/4885HSD17B10 605/4885HPGD 571/4885

“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.