SCHEMBL18158064

SCHEMBL18158064

CCCCNC(=O)CNC(Cc1ccccn1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
POLB P06746 2/20 0.44
CYP2D6 P10635 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX12 P18054 1/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC1 Q13547 2/20 0.40
PTPRA P18433 1/20 0.39
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL19214792 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTPOLBCYP2D6KDM4E
SCHEMBL18158049 0.81 PTPRA (0.43) SMN1; SMN2POLBCYP2D6KDM4EHPGD
SCHEMBL18158021 0.79 LMNA (0.41) SMN1; SMN2HTTCYP2D6HSD17B10HDAC6
SCHEMBL18157982 0.79 PTPRA (0.51) SMN1; SMN2POLBCYP2D6KDM4EHPGD
SCHEMBL18158066 0.78 PTPRA (0.47) SMN1; SMN2POLBCYP2D6KDM4EHSD17B10
SCHEMBL18160870 0.77 POLB (0.53) SMN1; SMN2HTTPOLBCYP2D6KDM4E
SCHEMBL6360498 0.76 SMN1; SMN2 (0.57) SMN1; SMN2HTTPOLBCYP2D6KDM4E
SCHEMBL18157958 0.73 FDPS (0.43) SMN1; SMN2CYP2D6KDM4ECYP2C19PTPRA
SCHEMBL18158002 0.73 GRIN2D (0.41) SMN1; SMN2KDM4EPTPRAMAPTALDH1A1
SCHEMBL18158023 0.73 FDPS (0.40) SMN1; SMN2KDM4EPTPRAMAPTALDH1A1

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 2133/4885HTT 2845/4885POLB 2608/4885

“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.