SCHEMBL10032067

SCHEMBL10032067

Cc1cc(Nc2ccc(O)cc2)c2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.71
GUSB P08236 1/20 0.71
MAPT P10636 1/20 0.71
LMNA P02545 1/20 0.68
KDM4E B2RXH2 1/20 0.66
KMT2A Q03164 2/20 0.65
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
GAA P10253 1/20 0.61
ADRA2A P08913 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
HTT P42858 2/20 0.59
TSHR P16473 1/20 0.59
MEN1 O00255 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL31673809 0.89 LMNA (0.73) NPC1GUSBMAPTLMNAKDM4E
SCHEMBL15101603 0.89 LMNA (0.73) NPC1GUSBMAPTLMNAKDM4E
SCHEMBL23786554 0.88 L3MBTL1 (0.74) NPC1GUSBMAPTLMNAKDM4E
SCHEMBL4633311 0.85 TSHR (0.67) NPC1GUSBMAPTLMNAKDM4E
SCHEMBL4816937 0.85 LMNA (0.68) NPC1GUSBMAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL4819171 0.84 LMNA (0.71) NPC1GUSBMAPTLMNAKDM4E
SCHEMBL10000195 0.84 LMNA (0.80) NPC1GUSBMAPTLMNAKDM4E
SCHEMBL25174836 0.83 TGFBR1 (0.69) NPC1GUSBMAPTLMNAKDM4E
SCHEMBL1063094 0.83 NPC1 (1.00) NPC1GUSBMAPTLMNAKDM4E
SCHEMBL1061819 0.82 LMNA (0.65) NPC1GUSBMAPTLMNAKDM4E

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-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS UNIVERSITY OF GUELPH (CA) 2012-06-07 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-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS TIPARP, CD38, PARP14 NPC1 4728/4885GUSB 3579/4885MAPT 1914/4885

“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.