SCHEMBL787101

SCHEMBL787101

CCCCCOC(=O)Nc1ccon1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
CTSK P43235 5/20 0.48
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
HPGD P15428 4/20 0.46
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.45
KDM4E B2RXH2 2/20 0.45
EPHX1 P07099 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP1 P29466 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CSNK2A2 P19784 1/20 0.44

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
SCHEMBL28206763 0.76 RAB9A (0.54) ATMRAB9ANPC1HPGDLMNA
SCHEMBL29814911 0.74 SMN1; SMN2 (0.58) CTSKRAB9ANPC1LMNASMN1; SMN2
SCHEMBL27047034 0.74 HPGD (0.52) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL28227295 0.74 ALDH1A1 (0.54) RAB9ANPC1LMNAKDM4EALDH1A1
SCHEMBL28228134 0.74 ALDH1A1 (0.54) RAB9ANPC1LMNAKDM4EALDH1A1
SCHEMBL27791544 0.74 ALDH1A1 (0.54) RAB9ANPC1LMNAKDM4EALDH1A1
SCHEMBL28861082 0.74 ALDH1A1 (0.54) RAB9ANPC1LMNAKDM4EALDH1A1
SCHEMBL3767288 0.74 CTSK (0.45) ATMCTSKRAB9ANPC1HPGD
SCHEMBL28227296 0.74 ALDH1A1 (0.54) RAB9ANPC1LMNAKDM4EALDH1A1
SCHEMBL27358954 0.74 ALDH1A1 (0.54) RAB9ANPC1LMNAKDM4EALDH1A1

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-8551963-B2 Imidazolothiazole compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-10-08 US disclosed
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-22 US disclosed
EP-2358725-A1 Imidazolothiazole compounds as modulators of protein kinase Ambit Biosciences Corporation (US) 2011-08-24 EP disclosed
WO-2010054058-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AS MODULATORS OF PROTEIN KINASE AMBIT BIOSCIENCE CORPORATION (US) 2010-05-14 WO 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-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF GRK2, GRK3, GRK4 ATM 350/4885CTSK 738/4885RAB9A 3218/4885

“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.