SCHEMBL3566724

SCHEMBL3566724

CN(C#N)CCCN(Cc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
APOBEC3A P31941 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 3/20 0.41
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 2/20 0.38
PKM P14618 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 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
SCHEMBL3566727 0.84 ALDH1A1 (0.45) GAAALDH1A1SMN1; SMN2APOBEC3ACTDSP1
SCHEMBL3562272 0.84 TSHR (0.50) GAAALDH1A1SMN1; SMN2APOBEC3ACTDSP1
SCHEMBL3559192 0.83 ALDH1A1 (0.50) GAAALDH1A1SMN1; SMN2APOBEC3ACTDSP1
SCHEMBL3567257 0.82 ALDH1A1 (0.48) GAAALDH1A1SMN1; SMN2APOBEC3ACTDSP1
SCHEMBL4889134 0.82 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2APOBEC3ACTDSP1
SCHEMBL3569305 0.82 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2APOBEC3ACTDSP1
SCHEMBL3556098 0.82 ALDH1A1 (0.48) GAAALDH1A1SMN1; SMN2APOBEC3ACTDSP1
SCHEMBL3561195 0.80 ALDH1A1 (0.50) GAAALDH1A1SMN1; SMN2APOBEC3ACTDSP1
SCHEMBL3563466 0.80 ALDH1A1 (0.46) GAAALDH1A1SMN1; SMN2APOBEC3ACTDSP1
SCHEMBL3566756 0.79 GAA (0.52) GAAALDH1A1SMN1; SMN2APOBEC3ACTDSP1

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 4 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-20100094021-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2010-04-15 US disclosed
US-20070123572-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2007-05-31 US 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 (3 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-20100094021-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES DCLK2, TH, DCLK3 GAA 4103/4885ALDH1A1 1245/4885SMN1; SMN2 3474/4885
US-20070123572-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES DCLK2, TH, DCLK3 GAA 4103/4885ALDH1A1 1245/4885SMN1; SMN2 3474/4885
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 GAA 4162/4885ALDH1A1 2795/4885SMN1; SMN2 4446/4885

“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.