SCHEMBL6449128

SCHEMBL6449128

O=[N+]([O-])c1cccnc1-c1n[nH]c(-c2c(O)ccc3ccccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
KDM4E B2RXH2 8/20 0.43
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
ALDH1A1 P00352 7/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
CTSB P07858 3/20 0.43
CASP6 P55212 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSP90AA1 P07900 3/20 0.43
RAB9A P51151 2/20 0.43
OPRK1 P41145 2/20 0.43
NPC1 O15118 1/20 0.43
BRD4 O60885 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ALOX12 P18054 1/20 0.43
ADRA2B P18089 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
SCHEMBL6451316 0.83 MAPT (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6450866 0.81 POLB (0.38) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6454189 0.81 SMN1; SMN2 (0.39) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6454319 0.81 METAP2 (0.38) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6450544 0.80 NPC1 (0.40) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL6450889 0.78 NPC1 (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6449942 0.78 MEN1 (0.40) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6452557 0.77 GRK6 (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6453905 0.75 SMN1; SMN2 (0.61) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6453797 0.75 GAA (0.53) MAPTKDM4EMEN1KMT2AALDH1A1

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 MAPT 2805/4885KDM4E 3106/4885MEN1 3473/4885

“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.