SCHEMBL6449653

SCHEMBL6449653

CCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ncccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
PTPN1 P18031 1/20 0.39
CAPN1 P07384 1/20 0.39

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
SCHEMBL6453814 0.85 L3MBTL1 (0.57) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL6453600 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL6454028 0.81 ALDH1A1 (0.56) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL6449923 0.75 ALPL (0.42) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL6454672 0.75 ALDH1A1 (0.61) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL6461061 0.72 CA9 (0.50) ALDH1A1HTTMAPTSMN1; SMN2PKM
SCHEMBL6450624 0.71 NPSR1 (0.42) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL6451253 0.68 ALDH1A1 (0.52) ALDH1A1LMNAHTTMAPTGAA
SCHEMBL6451134 0.67 POLB (0.60) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL6451304 0.67 SMN1; SMN2 (0.46) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 287/4885LMNA 2406/4885HTT 1540/4885

“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.