SCHEMBL4404741

SCHEMBL4404741

Fc1ccc(F)c(-c2ccc(-c3ccccn3)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
TGFBR1 P36897 4/20 0.48
MAPK14 Q16539 1/20 0.48
HPGDS O60760 1/20 0.44
LMNA P02545 3/20 0.44
SQOR Q9Y6N5 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KDM4E B2RXH2 3/20 0.44
P4HTM Q9NXG6 2/20 0.44
METAP1 P53582 2/20 0.44
CCR1 P32246 2/20 0.44
CCR5 P51681 2/20 0.44
CCR8 P51685 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2692720 0.84 GRM5 (0.54) GRM5TGFBR1MAPK14LMNASQOR
SCHEMBL5845698 0.83 GRM5 (0.51) GRM5TGFBR1MAPK14LMNAHTT
SCHEMBL12925656 0.81 KDM4E (0.56) TGFBR1HPGDSLMNAHTTL3MBTL1
SCHEMBL18601684 0.80 SQOR (0.42) GRM5TGFBR1MAPK14HPGDSLMNA
SCHEMBL3779014 0.80 GRM5 (0.59) GRM5TGFBR1MAPK14LMNAHTT
SCHEMBL4402554 0.79 TOP1 (0.51) GRM5TGFBR1MAPK14SQORL3MBTL1
SCHEMBL12925598 0.78 KDM4E (0.52) TGFBR1HPGDSLMNAHTTL3MBTL1
SCHEMBL29901522 0.77 KDM4E (0.61) TGFBR1MAPK14HPGDSLMNAHTT
SCHEMBL21636881 0.77 KDM4E (0.67) HPGDSLMNAHTTL3MBTL1KDM4E
SCHEMBL18806862 0.77 KDM4E (0.67) HPGDSLMNAHTTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed
US-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 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-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 GRM5 4378/4885TGFBR1 2888/4885MAPK14 2663/4885

“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.