SCHEMBL10040529

SCHEMBL10040529

CCOC(=N)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL10070511 0.86 TSHR (0.47) CES2CES1RAB9AMAPTPOLB
SCHEMBL10668208 0.83 DGAT1 (0.41) RAB9AMAPTTSHRMEN1KMT2A
SCHEMBL1485482 0.83 DGAT1 (0.46) RAB9AMAPTMEN1KMT2ANPSR1
SCHEMBL9005605 0.83 DGAT1 (0.41) MEN1KMT2ALMNAALDH1A1TDP1
Hydrochloric Acid SCHEMBL1485480 0.81 DGAT1 (0.45) RAB9AMAPTMEN1KMT2ANPSR1
SCHEMBL15106284 0.81 CPS1 (0.48) MEN1KMT2ALMNAALDH1A1HPGD
Hydrochloric Acid SCHEMBL31426415 0.81 DGAT1 (0.45) RAB9AMAPTMEN1KMT2ANPSR1
SCHEMBL8226282 0.80 MAPT (0.49) CES2CES1RAB9AMAPTPOLB
Hydrochloric Acid SCHEMBL15106283 0.80 CPS1 (0.47) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL367075 0.79 TSHR (0.57) CES2CES1RAB9AMAPTPOLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 WO disclosed
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 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 (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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 CES2 1341/4885CES1 759/4885RAB9A 2756/4885

“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.