SCHEMBL3562272

SCHEMBL3562272

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
APOBEC3A P31941 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PAX8 Q06710 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4889134 0.93 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2GAAAPOBEC3A
SCHEMBL3559192 0.87 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2GAAAPOBEC3A
SCHEMBL3567257 0.87 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2GAAAPOBEC3A
SCHEMBL3569305 0.86 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2GAAAPOBEC3A
SCHEMBL3556098 0.86 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2GAAAPOBEC3A
SCHEMBL3561195 0.84 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2GAAAPOBEC3A
SCHEMBL3563466 0.84 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2GAAAPOBEC3A
SCHEMBL3566724 0.84 GAA (0.48) TSHRALDH1A1SMN1; SMN2GAAAPOBEC3A
SCHEMBL3566756 0.83 GAA (0.52) TSHRALDH1A1SMN1; SMN2GAAAPOBEC3A
SCHEMBL3563503 0.83 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2GAACYP3A4

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 19 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
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-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-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-1954694-A1 IMIDAZOLE DERIVATIVES AS NITRIC OXIDE SYNTHASE DIMERISATION INHIBITOR Kalypsys, Inc. (US) 2008-08-13 EP disclosed
EP-1954695-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-5-YL)-DIALKYL-AMINES Kalypsys, Inc. (US) 2008-08-13 EP disclosed
US-20070197609-A1 SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2007-08-23 US disclosed
US-20070197609-A1 SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2007-08-23 US disclosed
US-20070197609-A1 SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2007-08-23 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2007062410-A1 IMIDAZOLE DERIVATIVES AS NITRIC OXIDE SYNTHASE DIMERISATION INHIBITOR KALYPSYS, INC. (US) 2007-05-31 WO disclosed
WO-2007062411-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-5-YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2007-05-31 WO 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-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-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 (4 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 TSHR 843/4885ALDH1A1 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 TSHR 843/4885ALDH1A1 1245/4885SMN1; SMN2 3474/4885
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 TSHR 788/4885ALDH1A1 2795/4885SMN1; SMN2 4446/4885
US-20070197609-A1 SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS NOS2, NOS1, NOS3 TSHR 2832/4885ALDH1A1 1289/4885SMN1; SMN2 4429/4885

“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.