SCHEMBL6448711

SCHEMBL6448711

O=[N+]([O-])c1cccnc1-n1ccc(-c2ccccc2O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.43
MAPT P10636 6/20 0.43
HTT P42858 2/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
CTSB P07858 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL6450814 0.84 MAPT (0.52) ALDH1A1SMN1; SMN2RAB9AKMT2AHPGD
SCHEMBL6449998 0.83 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6448373 0.82 KMT2A (0.50) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL29823784 0.76 CYP1A2 (0.52) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6450649 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6449976 0.74 EPHX2 (0.41) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL15557817 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6454370 0.72 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6449004 0.71 GRM5 (0.50) ALDH1A1RAB9AHPGDLMNAMAPT
SCHEMBL8675692 0.71 CYP1A2 (0.56) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A

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 2 patents. 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
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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 ALDH1A1 287/4885SMN1; SMN2 4633/4885RAB9A 2483/4885

“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.