SCHEMBL18157950

SCHEMBL18157950

c1ccc(CNc2cccc(CNC(Cc3ccccn3)c3ccccn3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.49
FABP6 P51161 1/20 0.49
CXCR4 P61073 1/20 0.43
APP P05067 4/20 0.42
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 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
SCHEMBL20661516 0.83 FABP1 (0.51) FABP1FABP6CXCR4APPKDM4E
SCHEMBL19214860 0.81 FABP1 (0.49) FABP1FABP6CXCR4APPKDM4E
SCHEMBL18158081 0.80 GRIN2D (0.37) KDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL18158043 0.79 MAOA (0.40) APPSMN1; SMN2L3MBTL1TRPV3
SCHEMBL18157994 0.79 CXCR4 (0.44) CXCR4NPC1RAB9AHTTSMN1; SMN2
SCHEMBL18157938 0.79 FDPS (0.38) KDM4ESMN1; SMN2L3MBTL1TRPV3ALDH1A1
SCHEMBL20024577 0.79 FABP1 (0.61) FABP1FABP6CXCR4APPKDM4E
SCHEMBL18158095 0.78 PTPRA (0.44) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL18158092 0.77 HRH1 (0.49) CXCR4APPL3MBTL1ALDH1A1
SCHEMBL18158024 0.77 KDM4E (0.38) APPKDM4EHTTSMN1; SMN2ALDH1A1

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 FABP1 2465/4885FABP6 2365/4885CXCR4 3217/4885

“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.