SCHEMBL3566756

SCHEMBL3566756

CC(C)(C)OC(=O)N(CCCNC1CC1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TSHR P16473 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.40
BMP1 P13497 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL3567257 0.88 ALDH1A1 (0.48) GAATSHRAPOBEC3ACTDSP1APOBEC3G
SCHEMBL3563466 0.85 ALDH1A1 (0.46) GAATSHRAPOBEC3ACTDSP1APOBEC3G
SCHEMBL3556098 0.85 ALDH1A1 (0.48) GAATSHRAPOBEC3ACTDSP1APOBEC3G
SCHEMBL3559192 0.84 ALDH1A1 (0.50) GAATSHRKDM4EAPOBEC3ACTDSP1
SCHEMBL3566727 0.83 ALDH1A1 (0.45) GAATSHRAPOBEC3ACTDSP1APOBEC3G
SCHEMBL3562272 0.83 TSHR (0.50) GAATSHRKDM4EAPOBEC3ACTDSP1
SCHEMBL3561195 0.83 ALDH1A1 (0.50) GAATSHRMAPK1APOBEC3ACTDSP1
SCHEMBL3558567 0.83 SMN1; SMN2 (0.44) GAAKDM4EAPOBEC3ACTDSP1APOBEC3G
SCHEMBL3565071 0.81 MMP9 (0.44) GAAKDM4EAPOBEC3ACTDSP1APOBEC3G
SCHEMBL3561765 0.81 ALDH1A1 (0.45) GAATSHRKDM4EAPOBEC3ACTDSP1

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-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
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP 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
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 (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 4103/4885TSHR 843/4885KDM4E 1432/4885
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 4103/4885TSHR 843/4885KDM4E 1432/4885
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 GAA 4162/4885TSHR 788/4885KDM4E 1567/4885

“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.