SCHEMBL3277617

SCHEMBL3277617

Nc1ccc(-c2cc3cc(N)ccc3oc2=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.82
MAOB P27338 11/20 0.77
NCOA1 Q15788 1/20 0.73
NCOA3 Q9Y6Q9 1/20 0.73
ACHE P22303 1/20 0.64
ADORA3 P0DMS8 1/20 0.61
MAPT P10636 1/20 0.56
MAOA P21397 2/20 0.55
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 2/20 0.53
GAPDH P04406 2/20 0.51
PTGS1 P23219 1/20 0.51
ESR1 P03372 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ESR2 Q92731 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL9637890 0.91 MAOB (0.83) NPC1MAOBNCOA1NCOA3ACHE
SCHEMBL9079005 0.90 NPC1 (1.00) NPC1MAOBNCOA1NCOA3ACHE
SCHEMBL4992695 0.87 MAOB (0.69) NPC1MAOBNCOA1NCOA3ACHE
SCHEMBL4983134 0.87 MAOB (0.69) NPC1MAOBNCOA1NCOA3ACHE
SCHEMBL8063336 0.86 NCOA1 (0.73) NPC1MAOBNCOA1NCOA3ACHE
SCHEMBL30096432 0.85 NCOA1 (1.00) NPC1MAOBNCOA1NCOA3ACHE
SCHEMBL2202460 0.85 NCOA1 (1.00) NPC1MAOBNCOA1NCOA3ACHE
SCHEMBL10144784 0.84 MAOB (0.68) NPC1MAOBNCOA1NCOA3ACHE
SCHEMBL3277732 0.78 SMN1; SMN2 (0.63) NPC1MAOBNCOA1NCOA3ACHE
SCHEMBL8934492 0.78 ESR2 (0.82) NPC1NCOA1NCOA3MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700375-B2 Fluorescent labeling of specific protein targets in vitro and in vivo VALORISATION-RECHERCHE, LP (CA) 2010-04-20 US disclosed
US-7700375-B2 Fluorescent labeling of specific protein targets in vitro and in vivo VALORISATION-RECHERCHE, LP (CA) 2010-04-20 US disclosed
US-7700375-B2 Fluorescent labeling of specific protein targets in vitro and in vivo VALORISATION-RECHERCHE, LP (CA) 2010-04-20 US disclosed
US-20060147948-A1 Fluorescent labeling of specific protein targets in vitro and in vivo UNIVERSITY OF OTTAWA (CA) 2006-07-06 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-20060147948-A1 Fluorescent labeling of specific protein targets in vitro and in vivo QPCTL, MRPL21, STAMBP NPC1 4005/4885MAOB 3357/4885NCOA1 4412/4885

“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.