SCHEMBL10018561

SCHEMBL10018561

Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ HTT P42858 4/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ POLB P06746 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ BCL2L1 Q07817 1/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ HKDC1 Q2TB90 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ PKM P14618 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ MAOA P21397 3/20 0.51

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
SCHEMBL12767315 0.84 MAPT (0.56) MAPTKMT2AMEN1HTTTDP1
SCHEMBL12443483 0.83 MAPT (0.53) MAPTKMT2AMEN1HTTTDP1
SCHEMBL10018562 0.77 MAPT (0.54) MAPTKMT2AMEN1HTTTDP1
SCHEMBL11814353 0.75 MAPT (0.57) MAPTKMT2AMEN1HTTTDP1
SCHEMBL11814348 0.75 MAPT (0.57) MAPTKMT2AMEN1HTTTDP1
SCHEMBL13726645 0.75 FNTA (0.55) MAPTKMT2AMEN1HTTTDP1
SCHEMBL13726644 0.75 FNTA (0.55) MAPTKMT2AMEN1HTTTDP1
SCHEMBL17395842 0.74 MAPT (0.65) MAPTKMT2AMEN1HTTTDP1
SCHEMBL9313016 0.74 CA12 (0.54) MAPTKMT2AMEN1HTTTDP1
SCHEMBL17395843 0.74 MAPT (0.65) MAPTKMT2AMEN1HTTTDP1

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 2783/4885KMT2A 2284/4885MEN1 3271/4885
US-20120178749-A1 NS1 PROTEIN INHIBITORS MAVS, SERPINB1, SPINT2 MAPT 2783/4885KMT2A 2284/4885MEN1 3271/4885

“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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