SCHEMBL2005260

SCHEMBL2005260

Nc1ccc(COC(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.47
ALDH1A1 P00352 2/20 0.44
GFER P55789 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APP P05067 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MAOA P21397 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 4/20 0.38
AGXT P21549 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3128080 0.77 IDO1 (0.52) MAOBAPPMAOARAB9ASMN1; SMN2
SCHEMBL8145077 0.77 IDO1 (0.47) MAOBALDH1A1GFERCYP3A4TSHR
SCHEMBL4301091 0.77 IDO1 (0.47) MAOBALDH1A1GFERCYP3A4TSHR
SCHEMBL31541669 0.77 LTA4H (0.39) ALDH1A1TSHRIDO1AGXTMEN1
SCHEMBL1705503 0.76 TSHR (0.52) ALDH1A1TSHRL3MBTL1IDO1AGXT
SCHEMBL29143218 0.74 IDO1 (0.55) TSHRGAARAB9AIDO1AGXT
SCHEMBL4314773 0.74 TSHR (0.41) MAOBALDH1A1GFERCYP3A4TSHR
SCHEMBL38665417 0.74 CA2 (0.61) MAPTSMN1; SMN2
SCHEMBL31541632 0.74 CA2 (0.48) KMT2A
SCHEMBL31508075 0.74 GABRP (0.44) SMN1; SMN2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160952-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-05-03 EP disclosed
WO-2015200709-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-12-30 WO disclosed
US-8084486-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-12-27 US disclosed
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2011-08-11 US disclosed
US-7960426-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-06-14 US disclosed
US-7902232-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-03-08 US disclosed
US-7803832-B2 N-(1-arylpyrazol-4L)sulfonamides and their use as parasiticides PFIZER INC. (US) 2010-09-28 US disclosed
US-7687533-B2 N-(1-arylpyrazol-4l) sulfonamides and their use as parasiticides PFIZER INC. (US) 2010-03-30 US disclosed
US-20100075956-A1 N-(1-ARYLPYRAZOL-4L)SULFONAMIDES AND THEIR USE AS PARASITICIDES PFIZER INC. (US) 2010-03-25 US disclosed
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-20080261940-A1 N-(1-Arylpyrazol-4L) Sulfonamides and their Use as Parasiticides ZOETIS LLC 2008-10-23 US disclosed
US-7435753-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2008-10-14 US disclosed
EP-1901608-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS Pfizer Limited (GB) 2008-03-26 EP disclosed
EP-1735284-A1 N-(1-ARYLPYRAZOL-4L)SULFONAMIDES AND THEIR USE AS PARASITICIDES Pfizer Limited (GB) 2006-12-27 EP disclosed
WO-2006134466-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LIMITED (GB) 2006-12-21 WO disclosed
EP-1705989-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS Pfizer Limited (GB) 2006-10-04 EP disclosed
US-20060014802-A1 Substituted arylpyrazoles ZOETIS SERVICES LLC 2006-01-19 US disclosed
WO-2005090313-A1 N-(1-ARYLPYRAZOL-4L)SULFONAMIDES AND THEIR USE AS PARASITICIDES PFIZER LIMITED (GB) 2005-09-29 WO disclosed
US-20050148649-A1 Substituted arylpyrazoles ZOETIS SERVICES LLC 2005-07-07 US disclosed
WO-2005060749-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LIMITED (GB) 2005-07-07 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 (6 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-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 MAOB 795/4885ALDH1A1 963/4885GFER 2267/4885
US-20100075956-A1 N-(1-ARYLPYRAZOL-4L)SULFONAMIDES AND THEIR USE AS PARASITICIDES ARSA, STS, SULT1E1 MAOB 3368/4885ALDH1A1 421/4885GFER 1009/4885
US-20050148649-A1 Substituted arylpyrazoles CYP3A4, CYP4B1, CYP1B1 MAOB 246/4885ALDH1A1 346/4885GFER 1722/4885
US-20060014802-A1 Substituted arylpyrazoles CYP4X1, ARG1, CYP2C9 MAOB 736/4885ALDH1A1 1045/4885GFER 2083/4885
US-20080261940-A1 N-(1-Arylpyrazol-4L) Sulfonamides and their Use as Parasiticides ARSA, STS, SULT1E1 MAOB 3368/4885ALDH1A1 421/4885GFER 1009/4885
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A43, CYP3A4, CYP4X1 MAOB 803/4885ALDH1A1 358/4885GFER 1791/4885

“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.