SCHEMBL18158058

SCHEMBL18158058

Cn1ccnc1CC(NCC(=O)O)c1nccn1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
FDPS P14324 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
OPRK1 P41145 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADAM17 P78536 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK4 Q16099 1/20 0.33
GRIK5 Q16478 1/20 0.33
FPR2 P25090 2/20 0.33
GPR142 Q7Z601 1/20 0.32

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
SCHEMBL19214747 0.80 FDPS (0.38) SMN1; SMN2FDPSKMT2AMEN1OPRK1
SCHEMBL17164608 0.78 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EKMT2AFNTAFNTB
SCHEMBL18158022 0.73 ATAD2 (0.39) SMN1; SMN2KDM4EKMT2AMEN1OPRK1
SCHEMBL20024589 0.72 FDPS (0.43) SMN1; SMN2FDPSKMT2AMEN1OPRK1
SCHEMBL12158386 0.70 FDPS (0.44) SMN1; SMN2KDM4EFDPSKMT2AMEN1
Sarcosine SCHEMBL28130346 0.70 FDPS (0.41) SMN1; SMN2FDPSKMT2AMEN1OPRK1
SCHEMBL27980070 0.70 FDPS (0.41) SMN1; SMN2FDPSKMT2AMEN1OPRK1
SCHEMBL2496546 0.69 CA2 (0.42) SMN1; SMN2KDM4E
SCHEMBL2137686 0.69 FDPS (0.49) SMN1; SMN2KDM4EFDPSKMT2AMEN1
SCHEMBL690633 0.69 GRIK1 (0.52) FDPSKMT2AMEN1GRIK1GRIK2

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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 SMN1; SMN2 2133/4885KDM4E 2067/4885FDPS 2964/4885

“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.