SCHEMBL18100437

SCHEMBL18100437

Cl/C(=N\c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
GRIN1 Q05586 3/20 0.46
GRIN2B Q13224 3/20 0.46
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
PRSS1 P07477 1/20 0.44
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL18100420 0.82 ESR1 (0.50) GRIN1GRIN2BPLAUHTR3EHTR3B
SCHEMBL11649906 0.80 KMT2A (0.48) GRIN1GRIN2BPLAUHTR3EHTR3B
SCHEMBL18100423 0.80 KMT2A (0.46) GRIN1GRIN2BPLAUHTR3EHTR3B
SCHEMBL7445406 0.79 CES2 (0.52) CES2CES1GRIN1GRIN2BF2
SCHEMBL4624489 0.78 KMT2A (0.54) CES2CES1GRIN1GRIN2BPLAU
SCHEMBL4624494 0.78 KMT2A (0.54) CES2CES1GRIN1GRIN2BPLAU
SCHEMBL29275066 0.74 MAPT (0.47) CES2CES1GRIN1GRIN2BF2
SCHEMBL22407025 0.73 CES2 (0.60) CES2CES1GRIN1GRIN2BF2
SCHEMBL18100425 0.73 MEN1 (0.48) CES2CES1PLAUPRSS1HTR3E
SCHEMBL16038636 0.73 ESR1 (0.44) CES2CES1PLAUHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280851-A1 IMINOETHER COMPOUND, POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING CARBOXYLIC ACID ESTER, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2016-09-29 US disclosed
US-20160280851-A1 IMINOETHER COMPOUND, POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING CARBOXYLIC ACID ESTER, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2016-09-29 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-20160280851-A1 IMINOETHER COMPOUND, POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING CARBOXYLIC ACID ESTER, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE BRS3, RAD1, RAD51 CES2 3045/4885CES1 2223/4885GRIN1 3386/4885

“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.