SCHEMBL10018562

SCHEMBL10018562

Cc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ THRB P10828 2/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ TDP1 Q9NUW8 4/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PLA2G1B P04054 1/20 0.50
▸ ATG4B Q9Y4P1 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ AMY1A P0DUB6 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL28484359 0.86 FNTA (0.60) MAPTALDH1A1KDM4ETHRBALOX12
SCHEMBL29888965 0.86 FNTA (0.60) MAPTALDH1A1KDM4ETHRBALOX12
SCHEMBL10018565 0.82 AMY1A (0.57) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL10018555 0.81 VCAM1 (0.48) MAPTALDH1A1TDP1LMNAMEN1
SCHEMBL10018564 0.80 MAPT (0.52) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL7262437 0.80 MAPT (0.48) MAPTALDH1A1TDP1LMNAMEN1
SCHEMBL7262434 0.80 MAPT (0.48) MAPTALDH1A1TDP1LMNAMEN1
SCHEMBL10018561 0.77 MAPT (0.55) MAPTALDH1A1KDM4ETHRBTDP1
SCHEMBL13726645 0.77 FNTA (0.55) MAPTALDH1A1TDP1LMNAMEN1
SCHEMBL13726644 0.77 FNTA (0.55) MAPTALDH1A1TDP1LMNAMEN1

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 MAPT 2783/4885ALDH1A1 3348/4885KDM4E 2872/4885
US-20120178749-A1 NS1 PROTEIN INHIBITORS MAVS, SERPINB1, SPINT2 MAPT 2783/4885ALDH1A1 3348/4885KDM4E 2872/4885

“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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