SCHEMBL18158095

SCHEMBL18158095

O=C(O)Cc1cccc(CNC(Cc2ccccn2)c2ccccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.44
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
FDPS P14324 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
GRIN2D O15399 1/20 0.36

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
SCHEMBL18157938 0.85 FDPS (0.38) PTPRAPOLBSMN1; SMN2CYP1A2CYP2D6
SCHEMBL18158081 0.84 GRIN2D (0.37) PTPRASMN1; SMN2MAPTFDPSALDH1A1
SCHEMBL19214809 0.81 PTPRA (0.44) PTPRAPOLBSMN1; SMN2CYP1A2CYP2D6
SCHEMBL18157982 0.81 PTPRA (0.51) PTPRAPOLBSMN1; SMN2CYP1A2CYP2D6
SCHEMBL18158092 0.81 HRH1 (0.49) PTPRACYP1A2FDPSALDH1A1GRIN2D
SCHEMBL18157994 0.80 CXCR4 (0.44) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL18158043 0.80 MAOA (0.40) PTPRASMN1; SMN2MAPTFDPSTDP1
SCHEMBL18158024 0.78 KDM4E (0.38) PTPRAPOLBSMN1; SMN2CYP1A2CYP2D6
SCHEMBL18160895 0.78 SMN1; SMN2 (0.53) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18157950 0.78 FABP1 (0.49) SMN1; SMN2TSHRNPC1RAB9AALDH1A1

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 2197/4885POLB 2608/4885SMN1; SMN2 2133/4885

“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.