SCHEMBL677578

SCHEMBL677578

CC[n+]1cccc(C(N)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NNMT P40261 1/20 0.59
MAPT P10636 2/20 0.55
HSP90AA1 P07900 8/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ATM Q13315 1/20 0.48
BACE1 P56817 1/20 0.46

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
SCHEMBL8432814 0.86 NPSR1 (0.58) NPSR1L3MBTL1NNMTMAPTHSP90AA1
SCHEMBL16674216 0.85 NPSR1 (0.65) NPSR1L3MBTL1NNMTMAPTHSP90AA1
Bromide SCHEMBL3051752 0.84 NPSR1 (0.56) NPSR1L3MBTL1NNMTMAPTHSP90AA1
SCHEMBL10918992 0.83 L3MBTL1 (0.63) NPSR1L3MBTL1NNMTMAPTHSP90AA1
SCHEMBL10220439 0.83 APOBEC3A (0.50) NPSR1L3MBTL1NNMTMAPTHSP90AA1
SCHEMBL10307407 0.83 KMT2A (0.53) NPSR1L3MBTL1MAPTHSP90AA1KMT2A
SCHEMBL5358005 0.83 HSP90AA1 (0.58) NPSR1L3MBTL1NNMTMAPTHSP90AA1
SCHEMBL3630464 0.82 MAPT (0.60) NPSR1L3MBTL1NNMTMAPTHSP90AA1
Bromide SCHEMBL3061420 0.82 HSP90AA1 (0.60) NPSR1L3MBTL1NNMTMAPTHSP90AA1
Hydrochloric Acid SCHEMBL28336416 0.81 KMT2A (0.52) NPSR1L3MBTL1HSP90AA1KMT2AMEN1

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-7968013-B2 Carbon nanotube N-doping material, carbon nanotube N-doping method and device using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-06-28 US disclosed
US-20100140561-A1 CARBON NANOTUBE N-DOPING MATERIAL, CARBON NANOTUBE N-DOPING METHOD AND DEVICE USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-06-10 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-20100140561-A1 CARBON NANOTUBE N-DOPING MATERIAL, CARBON NANOTUBE N-DOPING METHOD AND DEVICE USING THE SAME NNMT, NNT, NAMPT NPSR1 1355/4885L3MBTL1 2356/4885NNMT 1/4885

“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.