SCHEMBL6454614

SCHEMBL6454614

O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.81
▸ TDP1 Q9NUW8 4/20 0.64
▸ ALPL P05186 2/20 0.64
▸ CTSD P07339 1/20 0.61
▸ MAPT P10636 7/20 0.61
▸ GAA P10253 3/20 0.61
▸ HTT P42858 1/20 0.61
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ KDM4E B2RXH2 5/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ ALPI P09923 1/20 0.57
▸ ALPG P10696 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ LMNA P02545 1/20 0.56

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
SCHEMBL28020260 0.85 NPC1 (0.64) ALDH1A1TDP1ALPLCTSDMAPT
SCHEMBL6450415 0.82 ALDH1A1 (0.70) ALDH1A1TDP1MAPTGAANPC1
SCHEMBL6449628 0.82 ALDH1A1 (0.83) ALDH1A1TDP1ALPLCTSDMAPT
SCHEMBL1208576 0.82 ALDH1A1 (0.83) ALDH1A1TDP1ALPLCTSDMAPT
SCHEMBL1208462 0.82 ALDH1A1 (0.83) ALDH1A1TDP1ALPLCTSDMAPT
SCHEMBL5226740 0.81 KCNMA1 (0.67) ALDH1A1CTSDMAPTGAAHTT
SCHEMBL6453064 0.81 ALDH1A1 (0.81) ALDH1A1TDP1ALPLCTSDMAPT
SCHEMBL27770121 0.80 TSHR (0.56) ALDH1A1TDP1CTSDMAPTGAA
SCHEMBL15997924 0.80 ALDH1A1 (0.80) ALDH1A1TDP1ALPLCTSDMAPT
SCHEMBL4694811 0.80 ALDH1A1 (0.73) ALDH1A1TDP1ALPLCTSDMAPT

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 287/4885TDP1 4550/4885ALPL 3827/4885

“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.

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