SCHEMBL12840352

SCHEMBL12840352

CCc1nc(-c2ccccc2)cnc1NC(=O)CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
ADORA1 P30542 4/20 0.46
GSK3A P49840 2/20 0.45
HDAC1 Q13547 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL12838908 0.94 TRPV1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL12840351 0.93 MAPT (0.47) NPC1RAB9ASMN1; SMN2GAAADORA1
SCHEMBL12839155 0.93 LMNA (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL12840499 0.93 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL12839946 0.92 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL12839920 0.91 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL12838997 0.90 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL12840355 0.88 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL12838911 0.87 HCAR2 (0.50) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL12838489 0.86 TRPV1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 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-20110070656-A1 Fluorescent Proteins CACYBP, CHLSN, LCP2 NPC1 2936/4885RAB9A 2980/4885SMN1; SMN2 4784/4885

“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.