SCHEMBL17866115

SCHEMBL17866115

O=C1c2ccccc2C(=O)N1Cc1cccc(CN2C(=O)c3ccccc3C2=O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.53
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 2/20 0.49
RECQL P46063 2/20 0.49
TYR P14679 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GRM5 P41594 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL10339317 0.85 TYR (0.64) CASP3GAARECQLTYRGRM5
SCHEMBL18688200 0.83 TYR (0.54) CASP3TYRGRM5CA12CA1
SCHEMBL3119831 0.81 TYR (0.50) CASP3NPSR1GAARECQLTYR
SCHEMBL4509679 0.81 CASP3 (0.53) CASP3NPSR1GAARECQLTYR
SCHEMBL10754225 0.80 CASP3 (0.56) CASP3NPSR1GAARECQLCA12
SCHEMBL12857524 0.79 CASP3 (0.65) CASP3GAARECQLTYRCA12
SCHEMBL1337353 0.78 CA12 (0.57) CASP3NPSR1GAARECQLKDM4E
SCHEMBL10304923 0.77 PTGS1 (0.65) CASP3GAARECQLKDM4ECA12
SCHEMBL15624560 0.77 MPO (0.50) CASP3GAARECQLKDM4EGRM5
SCHEMBL7518302 0.77 CASP3 (0.49) CASP3GAARECQLKDM4EGRM5

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-9708260-B2 Method for producing meta-xylylenediamines and method for producing bisamide compound MITSUI CHEMICALS INC. (JP) 2017-07-18 US disclosed
US-9708260-B2 Method for producing meta-xylylenediamines and method for producing bisamide compound MITSUI CHEMICALS INC. (JP) 2017-07-18 US disclosed
US-9708260-B2 Method for producing meta-xylylenediamines and method for producing bisamide compound MITSUI CHEMICALS INC. (JP) 2017-07-18 US disclosed
US-20160185722-A1 METHOD FOR PRODUCING META-XYLYLENEDIAMINES AND METHOD FOR PRODUCING BISAMIDE COMPOUND MITSUI CHEMICALS, INC. (JP) 2016-06-30 US disclosed
US-20160185722-A1 METHOD FOR PRODUCING META-XYLYLENEDIAMINES AND METHOD FOR PRODUCING BISAMIDE COMPOUND MITSUI CHEMICALS, INC. (JP) 2016-06-30 US disclosed
US-20160185722-A1 METHOD FOR PRODUCING META-XYLYLENEDIAMINES AND METHOD FOR PRODUCING BISAMIDE COMPOUND MITSUI CHEMICALS, INC. (JP) 2016-06-30 US disclosed
EP-3037406-A1 METHOD FOR PRODUCING M-XYLYLENEDIAMINE AND METHOD FOR PRODUCING BISAMIDE COMPOUND Mitsui Chemicals, Inc. (JP) 2016-06-29 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 (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-20160185722-A1 METHOD FOR PRODUCING META-XYLYLENEDIAMINES AND METHOD FOR PRODUCING BISAMIDE COMPOUND ACMSD, XDH, FHIT CASP3 2264/4885NPSR1 448/4885GAA 2310/4885

“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.