SCHEMBL4593736

SCHEMBL4593736

COc1cc(F)c(Cc2c(C)[nH][nH]c2=O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
DAO P14920 4/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 3/20 0.37
TDP2 O95551 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.35
TRAP1 Q12931 2/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
GFER P55789 1/20 0.33
HSP90B1 P14625 1/20 0.33
PDE10A Q9Y233 2/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL2045392 0.82 GAA (0.42) DAOMAPTGAATDP2POLB
SCHEMBL2254318 0.74 ERAP1 (0.51) DAOMAPTGAAPOLBKMT2A
SCHEMBL2044189 0.74 DAO (0.43) DAOMAPTGAAPDE10A
Hydrazine SCHEMBL3176538 0.72 DAO (0.41) DAOMAPTGAAPDE10A
SCHEMBL5030951 0.72 TAAR1 (0.39) TAAR1KMT2ATRAP1HSP90B1MAOA
SCHEMBL2788150 0.71 DAO (0.38) DAOMAPTGAAKMT2APDE10A
SCHEMBL3770602 0.70 TAAR1 (0.42) TAAR1MAPTGAAKMT2A
SCHEMBL2046069 0.69 DAO (0.57) DAOGAAKMT2A
SCHEMBL4593415 0.69 DAO (0.38) DAOMAPTGAAKMT2ATRAP1
SCHEMBL4593543 0.69 GAA (0.37) DAOMAPTGAAKMT2APDE3B

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
EP-1910391-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
WO-2007010015-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 WO disclosed
WO-2007010015-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 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-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes CYP4B1, CYP1B1, CYP11B1 TAAR1 4280/4885DAO 2807/4885MAPT 4364/4885

“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.