SCHEMBL6453064

SCHEMBL6453064

Cc1ccccc1C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.81
POLB P06746 1/20 0.66
TDP1 Q9NUW8 4/20 0.64
ALPL P05186 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
CTSD P07339 1/20 0.61
GAA P10253 4/20 0.61
HTT P42858 1/20 0.61
KDM4E B2RXH2 4/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 2/20 0.60
TP53 P04637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL1208462 0.85 ALDH1A1 (0.83) ALDH1A1POLBTDP1ALPLSMN1; SMN2
SCHEMBL15997924 0.83 ALDH1A1 (0.80) ALDH1A1POLBTDP1ALPLSMN1; SMN2
SCHEMBL2062424 0.83 ALDH1A1 (0.78) ALDH1A1POLBTDP1ALPLSMN1; SMN2
SCHEMBL2650229 0.82 POLB (0.72) ALDH1A1POLBSMN1; SMN2GAAKDM4E
SCHEMBL6449628 0.82 ALDH1A1 (0.83) ALDH1A1POLBTDP1ALPLSMN1; SMN2
SCHEMBL1208576 0.82 ALDH1A1 (0.83) ALDH1A1POLBTDP1ALPLSMN1; SMN2
SCHEMBL1207177 0.81 ALDH1A1 (0.76) ALDH1A1POLBTDP1ALPLSMN1; SMN2
SCHEMBL1207037 0.81 ALDH1A1 (0.76) ALDH1A1POLBTDP1ALPLSMN1; SMN2
SCHEMBL5181163 0.81 KMT2A (0.76) ALDH1A1POLBTDP1GAAHTT
SCHEMBL1963164 0.81 KMT2A (0.65) ALDH1A1POLBCTSDHTTKDM4E

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 ALDH1A1 287/4885POLB 2806/4885TDP1 4550/4885

“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.