SCHEMBL7105835

SCHEMBL7105835

NCCC(CN)NCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.49
CHRM2 P08172 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PRMT1 Q99873 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL19214715 0.88 HRH1 (0.46) HRH1CHRM2MAOAMAOBSMN1; SMN2
SCHEMBL28198272 0.85 TLR8 (0.45) HRH1CHRM2MAOAMAOBSMN1; SMN2
SCHEMBL2360462 0.83 SMN1; SMN2 (0.52) MAOAMAOBSMN1; SMN2ALDH1A1MEN1
SCHEMBL4790598 0.77 CHRM2 (0.50) HRH1CHRM2MAOAMAOBSMN1; SMN2
SCHEMBL6051875 0.75 CHRM2 (0.47) CHRM2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL18157997 0.74 MAOA (0.45) HRH1CHRM2MAOAMAOBSMN1; SMN2
SCHEMBL7105832 0.73 KDM4E (0.54) HRH1CHRM2MAOAMAOBSMN1; SMN2
SCHEMBL4758497 0.73 CHRM2 (0.53) HRH1CHRM2MAOAMAOBSMN1; SMN2
SCHEMBL14499002 0.72 MAOA (0.46) CHRM2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL7093511 0.72 MAOA (0.53) CHRM2MAOAMAOBSMN1; 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 3 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
WO-2004000985-A1 USE OF TRANSITION METAL COMPLEXES AS A BLEACHING CATALYST DEGUSSA AG (DE) 2003-12-31 WO 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 HRH1 1572/4885CHRM2 1881/4885MAOA 2578/4885

“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.