SCHEMBL6113239

SCHEMBL6113239

CN(C)c1ccc(C(=O)c2ccc3cc(N)ccc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
HPGD P15428 3/20 0.61
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
MAPK1 P28482 3/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CNR2 P34972 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.44
ACHE P22303 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 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
SCHEMBL6113062 0.84 ALDH1A1 (0.79) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL27820252 0.84 SMYD3 (0.54) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL10691723 0.82 HPGD (0.66) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL7456273 0.80 MAPT (0.70) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL7558044 0.79 HPGD (0.58) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL274966 0.78 ALDH1A1 (1.00) MAPTHPGDALDH1A1NPC1RAB9A
Michler'S Ketone SCHEMBL36517 0.78 ALDH1A1 (1.00) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL30503401 0.77 ALDH1A1 (0.58) MAPTALDH1A1NPC1RAB9AMAPK1
Michler'S Ketone SCHEMBL11758312 0.76 ALDH1A1 (0.95) MAPTHPGDALDH1A1NPC1RAB9A
Michler'S Ketone SCHEMBL1396486 0.76 ALDH1A1 (0.95) MAPTHPGDALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006458-B2 Surface Enhanced Raman Spectroscopy (SERS) compounds and methods of their preparation AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-14 US disclosed
US-9006458-B2 Surface Enhanced Raman Spectroscopy (SERS) compounds and methods of their preparation AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-14 US disclosed
US-9006458-B2 Surface Enhanced Raman Spectroscopy (SERS) compounds and methods of their preparation AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-14 US disclosed
US-20120128592-A1 SURFACE ENHANCED RAMAN SPECTROSCOPY (SERS) COMPOUNDS AND METHODS OF THEIR PREPARATION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-05-24 US disclosed
US-20120128592-A1 SURFACE ENHANCED RAMAN SPECTROSCOPY (SERS) COMPOUNDS AND METHODS OF THEIR PREPARATION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-05-24 US disclosed
US-20120128592-A1 SURFACE ENHANCED RAMAN SPECTROSCOPY (SERS) COMPOUNDS AND METHODS OF THEIR PREPARATION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-05-24 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-20120128592-A1 SURFACE ENHANCED RAMAN SPECTROSCOPY (SERS) COMPOUNDS AND METHODS OF THEIR PREPARATION NR1I2, SPR, NR1H4 MAPT 2234/4885HPGD 3306/4885ALDH1A1 1010/4885

“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.