SCHEMBL2138540

SCHEMBL2138540

NNc1nc2cc(F)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HCRTR1 O43613 2/20 0.43
MPO P05164 1/20 0.42
FAAH O00519 1/20 0.40
HCRTR2 O43614 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
IL6 P05231 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
SCHEMBL31430570 0.80 IL6 (0.57) FBP1MAPTKDM4EALDH1A1GFER
SCHEMBL23932773 0.79 HCRTR1 (0.42) FBP1MAPTHCRTR1MPOFAAH
SCHEMBL31430447 0.78 NPC1 (0.60) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL2135493 0.78 RAB9A (0.37) FBP1MAPTKDM4EMEN1ALDH1A1
SCHEMBL31532255 0.78 IL6 (0.61) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL16666112 0.78 HDAC6 (0.60) HCRTR1MPOFAAHHCRTR2PTGDR2
SCHEMBL31430550 0.77 IL6 (0.47) FBP1MAPTFAAHNPC1RAB9A
SCHEMBL31119203 0.76 LMNA (0.61) MAPTLMNAMAPK1GFERMPO
SCHEMBL25245167 0.76 NPC1 (0.54) MAPTMEN1ALDH1A1PKMKMT2A
SCHEMBL12965896 0.76 LMNA (0.61) MAPTLMNAMAPK1GFERMPO

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
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP 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 (3 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR FBP1 1850/4885MAPT 3403/4885KDM4E 3428/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR FBP1 1850/4885MAPT 3403/4885KDM4E 3428/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR FBP1 1850/4885MAPT 3403/4885KDM4E 3428/4885

“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.