SCHEMBL6527769

SCHEMBL6527769

CC(=O)c1cn(Cc2ccc(C#N)cc2)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.76
LMNA P02545 2/20 0.76
POLB P06746 2/20 0.70
NPSR1 Q6W5P4 3/20 0.68
MAPT P10636 2/20 0.68
ALDH1A1 P00352 3/20 0.66
RAB9A P51151 2/20 0.66
GALR3 O60755 1/20 0.66
PTGS2 P35354 1/20 0.59
NPC1 O15118 1/20 0.56
NOD2 Q9HC29 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 2/20 0.54
CREBBP Q92793 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ADORA1 P30542 1/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL6085594 0.86 HTT (0.71) HTTLMNAPOLBNPSR1MAPT
SCHEMBL17324721 0.85 POLB (0.79) HTTLMNAPOLBNPSR1MAPT
SCHEMBL30049353 0.85 POLB (0.79) HTTLMNAPOLBNPSR1MAPT
SCHEMBL4362980 0.84 POLB (0.78) HTTLMNAPOLBNPSR1MAPT
SCHEMBL27933692 0.83 POLB (1.00) HTTPOLBNPSR1MAPTALDH1A1
SCHEMBL2916774 0.81 HTT (0.55) HTTLMNAPOLBNPSR1MAPT
SCHEMBL17176648 0.78 RAB9A (0.64) HTTLMNAPOLBMAPTALDH1A1
SCHEMBL5171137 0.77 HTR3A (0.53) HTTLMNAALDH1A1RAB9AGALR3
SCHEMBL13564517 0.77 NR4A2 (0.69) HTTLMNAPOLBMAPTALDH1A1
SCHEMBL24273071 0.77 LMNA (0.56) HTTLMNAPOLBNPSR1MAPT

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-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth YALE UNIVERSITY (US) 2011-03-17 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-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth NGFR, GAP43, BDNF HTT 337/4885LMNA 2215/4885POLB 3719/4885

“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.