SCHEMBL3021443

SCHEMBL3021443

COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.73
▸ KMT2A Q03164 3/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ SLC6A3 Q01959 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CA1 P00915 4/20 0.56
▸ CA2 P00918 4/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ CA14 Q9ULX7 2/20 0.56
▸ CES1 P23141 1/20 0.55
▸ ERN1 O75460 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ PKM P14618 1/20 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
SCHEMBL306161 0.94 POLB (0.81) POLBKMT2AMEN1MAPK1HTT
Iodide SCHEMBL22235392 0.93 POLB (0.78) POLBKMT2AMEN1MAPK1HTT
SCHEMBL4236814 0.89 POLB (0.73) POLBKMT2AMEN1MAPK1GAA
SCHEMBL27396578 0.86 POLB (0.79) POLBKMT2AMEN1MAPK1GAA
SCHEMBL31504041 0.86 POLB (0.69) POLBKMT2AMEN1MAPK1MAPT
Sulfamide SCHEMBL27805329 0.86 POLB (0.79) POLBKMT2AMEN1MAPK1GAA
4-Nitrobenzoic Acid SCHEMBL27562391 0.86 TDP1 (0.70) POLBKMT2AMEN1MAPK1HTT
SCHEMBL12973292 0.85 POLB (0.68) POLBKMT2AMEN1MAPK1MAPT
SCHEMBL7450958 0.85 POLB (0.77) POLBKMT2AMEN1MAPK1GAA
SCHEMBL14659792 0.85 POLB (0.68) POLBKMT2AMEN1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264043-B1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS INC (US) 2017-11-08 — — EP disclosed
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 — — US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 — — US disclosed
US-8633303-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-01-21 — — US disclosed
US-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2012-01-05 — — US disclosed
US-7989601-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2011-08-02 — — US disclosed
EP-2264043-A1 Heterobifunctional pan-selectin inhibitors GlycoMimetics, Inc. (US) 2010-12-22 — — EP disclosed
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2010-08-12 — — US disclosed
US-7728117-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2010-06-01 — — US disclosed
US-20090036386-A1 Heterobifunctional compounds for selectin inhibition GLYCOMIMETICS, INC (US) 2009-02-05 — — US disclosed
US-7361644-B2 Specific antagonist for both E- and P-selectins GLYCOMIMETICS, INC. (US) 2008-04-22 — — US disclosed
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma GLYCOMIMETICS, INC. (US) 2007-03-08 — — 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 (6 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-20090036386-A1 Heterobifunctional compounds for selectin inhibition SELE, SELL, BSG POLB 4590/4885KMT2A 2610/4885MEN1 3603/4885
US-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG POLB 4205/4885KMT2A 2335/4885MEN1 3689/4885
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG POLB 4205/4885KMT2A 2335/4885MEN1 3689/4885
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma BSG, SELE, SELL POLB 4325/4885KMT2A 3600/4885MEN1 2258/4885
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG POLB 4205/4885KMT2A 2335/4885MEN1 3689/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG POLB 4205/4885KMT2A 2335/4885MEN1 3689/4885

“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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