SCHEMBL10018565

SCHEMBL10018565

O=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.57
▸ HTT P42858 1/20 0.55
▸ FNTA P49354 1/20 0.53
▸ FNTB P49356 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ MAOB P27338 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL13726645 0.91 FNTA (0.55) AMY1AHTTFNTAFNTBHSD17B10
SCHEMBL13726644 0.91 FNTA (0.55) AMY1AHTTFNTAFNTBHSD17B10
Ammonia Solution, Strong SCHEMBL13727324 0.90 FNTA (0.54) AMY1AHTTFNTAFNTBHSD17B10
SCHEMBL15176769 0.90 ALDH1A1 (0.54) AMY1AHTTFNTAFNTBHSD17B10
Ammonia Solution, Strong SCHEMBL13727318 0.90 FNTA (0.54) AMY1AHTTFNTAFNTBHSD17B10
SCHEMBL10018554 0.87 VCAM1 (0.51) AMY1AHTTFNTAFNTBHSD17B10
SCHEMBL12111921 0.86 FNTA (0.57) AMY1AHTTFNTAFNTBALDH1A1
SCHEMBL10018564 0.86 MAPT (0.52) AMY1AHTTFNTAFNTBHSD17B10
SCHEMBL10018573 0.84 NPSR1 (0.56) AMY1AHTTFNTAFNTBALDH1A1
SCHEMBL7262434 0.82 MAPT (0.48) AMY1AHTTFNTAFNTBHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178749-A1 NS1 PROTEIN INHIBITORS ROTH MICHAEL (US) 2012-07-12 — — US disclosed
US-20120178749-A1 NS1 PROTEIN INHIBITORS ROTH MICHAEL (US) 2012-07-12 — — US disclosed
US-8119656-B2 Inhibitors of the influenza virus non-structural 1 protein THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-21 — — US disclosed
US-8119656-B2 Inhibitors of the influenza virus non-structural 1 protein THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-21 — — US disclosed
US-20090170840-A1 NS1 protein inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 — — US disclosed
US-20090170840-A1 NS1 protein inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 — — 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 (2 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-20090170840-A1 NS1 protein inhibitors MAVS, SERPINB1, SPINT2 AMY1A 4135/4885HTT 1036/4885FNTA 814/4885
US-20120178749-A1 NS1 PROTEIN INHIBITORS MAVS, SERPINB1, SPINT2 AMY1A 4135/4885HTT 1036/4885FNTA 814/4885

“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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