SCHEMBL18158028

SCHEMBL18158028

O=C(O)C(=O)NC(Cc1ccccn1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
FDPS P14324 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL18157982 0.80 PTPRA (0.51) PTPRASMN1; SMN2FDPSNPC1RAB9A
SCHEMBL19214789 0.77 PTPRA (0.51) PTPRASMN1; SMN2FDPSNPC1RAB9A
SCHEMBL18158066 0.76 PTPRA (0.47) PTPRASMN1; SMN2FDPSNPC1RAB9A
SCHEMBL20188382 0.75 PTPRA (0.55) PTPRASMN1; SMN2FDPSNPC1RAB9A
SCHEMBL20188669 0.75 PTPRA (0.55) PTPRASMN1; SMN2FDPSNPC1RAB9A
SCHEMBL18157958 0.74 FDPS (0.43) PTPRASMN1; SMN2FDPSCYP1A2CYP2D6
SCHEMBL18158095 0.73 PTPRA (0.44) PTPRASMN1; SMN2FDPSNPC1RAB9A
SCHEMBL8308672 0.72 PTPRA (0.53) PTPRASMN1; SMN2FDPSCYP1A2CYP2D6
SCHEMBL18158049 0.72 PTPRA (0.43) PTPRASMN1; SMN2FDPSPOLBCYP1A2
SCHEMBL18157959 0.72 HRH3 (0.51) PTPRASMN1; SMN2FDPSNPC1RAB9A

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 PTPRA 2197/4885SMN1; SMN2 2133/4885FDPS 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.