SCHEMBL6448683

SCHEMBL6448683

Cc1cccnc1-c1cc(-c2ccc(OCc3ccccc3)cc2O)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.51
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
HPGD P15428 2/20 0.47
NFKB1 P19838 2/20 0.47
CYP2C19 P33261 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2D6 P10635 1/20 0.47
ATM Q13315 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL6448686 0.81 CYP3A4 (0.44) MAPTNPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL6452129 0.76 MAPT (0.45) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL6449876 0.74 CYP3A4 (0.44) PTGS1PTGS2MAPTMEN1NPC1
SCHEMBL6449859 0.72 MAPT (0.41) PTPN1MAPTMEN1NPC1RAB9A
SCHEMBL6449123 0.71 PTPN1 (0.49) PTPN1MAPTMEN1NPC1RAB9A
SCHEMBL1923788 0.69 MAOB (0.62) PTGS1PTGS2MEN1NPC1RAB9A
SCHEMBL6448952 0.68 TP53 (0.50) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL1437457 0.68 MAOB (0.60) PTGS1PTGS2MEN1NPC1RAB9A
SCHEMBL6451221 0.67 NPC1 (0.47) NPC1RAB9ACYP3A4NFKB1NFKB2
SCHEMBL6449831 0.67 BRD4 (0.43) MAPTNPC1RAB9AHPGDNFKB1

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC PTPN1 3671/4885PTGS1 932/4885PTGS2 989/4885

“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.