SCHEMBL4593622

SCHEMBL4593622

CCOc1ccc(Cc2c(C)[nH][nH]c2=O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 5/20 0.43
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 3/20 0.39
THRB P10828 2/20 0.39
MEN1 O00255 2/20 0.39
DAO P14920 3/20 0.39
KDM1A O60341 2/20 0.37
GPR52 Q9Y2T5 1/20 0.37
PDE10A Q9Y233 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL2044189 0.86 DAO (0.43) ALDH1A1LMNAGAAMAPTSMN1; SMN2
Hydrazine SCHEMBL3176538 0.84 DAO (0.41) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL4594045 0.83 P2RX3 (0.44) ALDH1A1GAAMAPTSMN1; SMN2DAO
SCHEMBL2046069 0.80 DAO (0.57) GAAKMT2ADAO
SCHEMBL14626489 0.78 DAO (0.42) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL2251668 0.77 ALDH1A1 (0.56) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL5031785 0.76 P2RX3 (0.38) ALDH1A1LMNASMN1; SMN2KDM1AGPR52
SCHEMBL21981585 0.74 DAO (0.51) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL2045757 0.72 DAO (0.41) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL10061306 0.71 KDM1A (0.50) ALDH1A1KDM1A

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 ALDH1A1 622/4885LMNA 971/4885GAA 368/4885

“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.