SCHEMBL3558583

SCHEMBL3558583

CC(C)(C)OC(=O)N(CCCNCc1ccc2occc2c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.50
NOS1 P29475 5/20 0.50
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4969568 0.87 NOS1 (0.54) NOS2NOS1ALDH1A1SMN1; SMN2APOBEC3A
SCHEMBL3558567 0.85 SMN1; SMN2 (0.44) NOS2NOS1ALDH1A1SMN1; SMN2APOBEC3A
SCHEMBL3567756 0.84 MEN1 (0.56) ALDH1A1SMN1; SMN2APOBEC3ACTDSP1APOBEC3G
SCHEMBL3562561 0.84 ALDH1A1 (0.46) NOS2NOS1ALDH1A1SMN1; SMN2APOBEC3A
SCHEMBL3565071 0.84 MMP9 (0.44) NOS2NOS1ALDH1A1SMN1; SMN2APOBEC3A
SCHEMBL3563466 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2APOBEC3ACTDSP1APOBEC3G
SCHEMBL3559611 0.81 SMN1; SMN2 (0.48) NOS2NOS1ALDH1A1SMN1; SMN2APOBEC3A
SCHEMBL3567257 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2APOBEC3ACTDSP1APOBEC3G
SCHEMBL3563107 0.81 HTR5A (0.49) NOS2NOS1ALDH1A1SMN1; SMN2GAA
SCHEMBL3566727 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2APOBEC3ACTDSP1APOBEC3G

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 NOS2 983/4885NOS1 777/4885ALDH1A1 1245/4885
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 NOS2 983/4885NOS1 777/4885ALDH1A1 1245/4885
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 NOS2 2/4885NOS1 3/4885ALDH1A1 2795/4885

“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.