SCHEMBL10018554

SCHEMBL10018554

N#Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.51
▸ AMY1A P0DUB6 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RAD51 Q06609 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MERTK Q12866 1/20 0.42

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
SCHEMBL10018565 0.87 AMY1A (0.57) AMY1AMAPTHTTFNTAFNTB
SCHEMBL10018555 0.86 VCAM1 (0.48) VCAM1AMY1AMAPTHTTFNTA
SCHEMBL22624747 0.86 FNTA (0.63) MAPTHTTFNTAFNTBMAOB
SCHEMBL14642441 0.83 VCAM1 (0.47) VCAM1AMY1AMAPTHTTHSD17B10
SCHEMBL13726644 0.82 FNTA (0.55) AMY1AMAPTHTTFNTAFNTB
SCHEMBL13726645 0.82 FNTA (0.55) AMY1AMAPTHTTFNTAFNTB
SCHEMBL15176769 0.81 ALDH1A1 (0.54) AMY1AMAPTHTTFNTAFNTB
Ammonia Solution, Strong SCHEMBL13727324 0.81 FNTA (0.54) AMY1AMAPTHTTFNTAFNTB
Ammonia Solution, Strong SCHEMBL13727318 0.81 FNTA (0.54) AMY1AMAPTHTTFNTAFNTB
SCHEMBL9649956 0.79 PTGS2 (0.61) AMY1AMAPTALDH1A1

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 VCAM1 526/4885AMY1A 4135/4885MAPT 2783/4885
US-20120178749-A1 NS1 PROTEIN INHIBITORS MAVS, SERPINB1, SPINT2 VCAM1 526/4885AMY1A 4135/4885MAPT 2783/4885

“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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