SCHEMBL1808522

SCHEMBL1808522

Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2c(C(=O)O)cnn2-c2ccccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.40
FPR1 P21462 1/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
SPR P35270 2/20 0.38
FFAR4 Q5NUL3 2/20 0.36
MEN1 O00255 2/20 0.36
CAMK2D Q13557 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL275841 0.91 TP53 (0.42) KMT2ATP53ALDH1A1SMN1; SMN2ALOX15
SCHEMBL27681313 0.88 HPGD (0.54) KMT2ATP53ALDH1A1SMN1; SMN2GAA
SCHEMBL6905815 0.86 KMT2A (0.39) KMT2ATP53ALDH1A1SMN1; SMN2ALOX15
SCHEMBL30812943 0.86 ALDH1A1 (0.46) KMT2ATP53ALDH1A1SMN1; SMN2GAA
SCHEMBL29695841 0.86 ALOX15 (0.40) KMT2ATP53ALDH1A1SMN1; SMN2ALOX15
SCHEMBL2478711 0.83 TP53 (0.39) KMT2ATP53ALDH1A1SMN1; SMN2ALOX15
SCHEMBL31734132 0.81 KMT2A (0.45) KMT2ATP53ALDH1A1SMN1; SMN2ALOX15
SCHEMBL7932136 0.80 GAA (0.47) KMT2ATP53ALDH1A1GAAFPR1
SCHEMBL8660576 0.80 NPC1 (0.39) KMT2ATP53ALDH1A1GAAFPR1
SCHEMBL10515589 0.79 HPGD (0.52) KMT2ATP53ALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114168-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2008-05-15 US claimed
US-20050282708-A1 Novel esters as useful herbicidal compounds CORET JOEL M 2005-12-22 US claimed
US-20050282706-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2005-12-22 US claimed
EP-2323481-B1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION AKZO NOBEL CHEMICALS INT BV (NL) 2018-11-28 EP disclosed
US-9907303-B2 Viscoelastic system for drift reduction AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2018-03-06 US disclosed
US-20150201612-A1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION AKZO NOBEL N.V. (NL) 2015-07-23 US disclosed
US-8993629-B2 Viscoelastic system for drift reduction AKZO NOBEL N.V. (NL) 2015-03-31 US disclosed
US-8673819-B2 Surfactant blends useful in agriculture AKZO NOBEL N.V. (NL) 2014-03-18 US disclosed
US-20110166235-A1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION AKZO NOBEL N.V. (NL) 2011-07-07 US disclosed
US-20110111961-A1 SURFACTANT BLENDS USEFUL IN AGRICULTURE AKZO NOBEL N.V. (NL) 2011-05-12 US disclosed
US-20080153706-A1 Water-In-Oil Suspoemulsions BAYER CROPSCIENCE AG (DE) 2008-06-26 US disclosed
US-20080114168-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2008-05-15 US disclosed
US-7329770-B2 Esters as useful broad spectrum herbicidal compounds CORET JOEL MARCEL 2008-02-12 US disclosed
US-7135434-B2 Herbicidally active composition comprising a mixture of A. a herbicidally active amount of one or more compounds of the HOECHST SCHERING AGREVO GMBH (DE) 2006-11-14 US disclosed
US-20050282708-A1 Novel esters as useful herbicidal compounds CORET JOEL M 2005-12-22 US disclosed
US-20050282706-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2005-12-22 US disclosed
US-20040132621-A1 Microemulsion concentrates BAYER CORPSCIENCE GMBH PATENTS AND LICENSING (DE) 2004-07-08 US disclosed
US-20030171220-A1 Combinations of herbicides and safeners BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-09-11 US disclosed
US-6511940-B1 Mixture of isoxazole derivative or cyclohexen-3-one derivative with antidote comprising quinoline, isoxazole, pyrazole or N-acylsulfonamide derivative HOECHST SCHERING AGREVO GMBH (DE) 2003-01-28 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 (9 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-20150201612-A1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION ACHE, PTMS, SGMS2 KMT2A 2380/4885TP53 2549/4885ALDH1A1 4670/4885
US-20030171220-A1 Combinations of herbicides and safeners DDT, CYP2B6, CYP2A6 KMT2A 470/4885TP53 1558/4885ALDH1A1 64/4885
US-20050282708-A1 Novel esters as useful herbicidal compounds NOTUM, DDT, HDHD5 KMT2A 732/4885TP53 4801/4885ALDH1A1 180/4885
US-20110166235-A1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION ACHE, PTMS, SGMS2 KMT2A 2380/4885TP53 2549/4885ALDH1A1 4670/4885
US-20050282706-A1 Novel esters as useful broad spectrum herbicidal compounds NOTUM, DDT, HDHD5 KMT2A 802/4885TP53 4779/4885ALDH1A1 164/4885
US-20110111961-A1 SURFACTANT BLENDS USEFUL IN AGRICULTURE ATL3, AGXT, ABHD5 KMT2A 1852/4885TP53 2671/4885ALDH1A1 2837/4885
US-20080114168-A1 Novel esters as useful broad spectrum herbicidal compounds NOTUM, DDT, HDHD5 KMT2A 802/4885TP53 4779/4885ALDH1A1 164/4885
US-20080153706-A1 Water-In-Oil Suspoemulsions AQP1, PIGS, MGLL KMT2A 4105/4885TP53 427/4885ALDH1A1 2817/4885
US-20040132621-A1 Microemulsion concentrates LIPC, MGLL, SGMS2 KMT2A 4458/4885TP53 3020/4885ALDH1A1 3202/4885

“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.