SCHEMBL12354590

SCHEMBL12354590

Fc1ccc(N2CC=CN2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.33
TSHR P16473 1/20 0.33
PTGS2 P35354 1/20 0.31
KCNH2 Q12809 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
RAD51 Q06609 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL11401376 0.80
SCHEMBL28318105 0.67 ADRB1 (0.44) PTGS2SIGMAR1
SCHEMBL27932273 0.67 MEN1 (0.39)
SCHEMBL28239503 0.67 HTR3E (0.44) SIGMAR1
SCHEMBL28937147 0.64 ALOX5 (0.62) PTGS2RAD51
Pyrrole SCHEMBL28074656 0.63 ALOX5 (0.34) PTGS2KCNH2SIGMAR1
SCHEMBL9795696 0.62 BPTF (0.35) BPTFTSHRRAD51
Pyridine SCHEMBL28108303 0.62 MAPT (0.35) TSHRPTGS2
SCHEMBL478208 0.62 ADRB1 (0.57) SIGMAR1
SCHEMBL2933216 0.61 LMNA (0.51) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8721922-B2 Printable light-emitting compositions NITTO DENKO CORPORATION (JP) 2014-05-13 US disclosed
US-8721922-B2 Printable light-emitting compositions NITTO DENKO CORPORATION (JP) 2014-05-13 US disclosed
US-20120305895-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2012-12-06 US disclosed
US-20120305895-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2012-12-06 US disclosed
US-20110193075-A1 PRINTABLE LIGHT-EMITTING COMPOSITIONS NITTO DENKO CORPORATION (JP) 2011-08-11 US disclosed
US-20110193075-A1 PRINTABLE LIGHT-EMITTING COMPOSITIONS NITTO DENKO CORPORATION (JP) 2011-08-11 US disclosed
WO-2010045263-A2 PRINTABLE LIGHT-EMITTING COMPOSITIONS NITTO DENKO CORPORATION (JP) 2010-04-22 WO disclosed
US-20090066234-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-03-12 US disclosed
US-20090066234-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-03-12 US disclosed
WO-2009006550-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-01-08 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 (2 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-20090066234-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS MAP1LC3A, MAP1LC3C, CRY1 BPTF 3719/4885TSHR 4279/4885PTGS2 4826/4885
US-20120305895-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS ILK, CRY1, IK BPTF 3561/4885TSHR 4424/4885PTGS2 4433/4885

“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.