SCHEMBL3030337

SCHEMBL3030337

NNC(=O)C1c2ccccc2Oc2ccc(C(=O)Nc3ccccc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PKM P14618 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKB1 P19838 1/20 0.48
MAOB P27338 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL27723986 0.88 NPC1 (0.52) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL217745 0.80 HDAC3 (0.71) KMT2AMEN1ALDH1A1PKMHDAC3
SCHEMBL5034567 0.79 MEN1 (0.47) KMT2AMEN1ALDH1A1HDAC3HDAC4
SCHEMBL3696138 0.71 MEN1 (0.59) KMT2AMEN1ALDH1A1HDAC3HDAC4
SCHEMBL30451255 0.69 HDAC3 (0.67) KMT2AMEN1ALDH1A1PKMHDAC3
SCHEMBL8183919 0.69 ALOX5 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2HDAC3
SCHEMBL4450882 0.68 NPC1 (0.50) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2831158 0.68 PTPN1 (0.71) KMT2AMEN1NPC1RAB9AMAOB
SCHEMBL27747500 0.68 HDAC3 (0.49) KMT2AMEN1PKMSMN1; SMN2HDAC3
SCHEMBL6695263 0.67 HDAC3 (0.69) KMT2AMEN1ALDH1A1PKMHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389440-B2 Synergistic insecticide mixtures BAYER CROPSCIENCE AG (DE) 2013-03-05 US disclosed
US-20100216637-A1 Synergistic Insecticide Mixtures BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
US-7745375-B2 Synergistic insecticide mixtures BAYER CROPSCIENCE AG (DE) 2010-06-29 US disclosed
US-20090156399-A1 Synergistic Insecticide Mixtures BAYER CROPSCIENCE AG (DE) 2009-06-18 US disclosed
US-20080261811-A1 Synergistic Mixtures Exhibiting Insecticidal and Fungicidal Action BAYER CROPSCIENCE AG (DE) 2008-10-23 US disclosed
US-20080139388-A1 Synergistic Insecticide Mixtures BAYER CROPSCIENCE AG (DE) 2008-06-12 US disclosed
US-20070078171-A1 Synergistic insecticide mixtures BAYER CROPSCIENCE AG (DE) 2007-04-05 US disclosed
US-20060063829-A1 Synergistic insecticide mixtures BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-03-23 US disclosed
US-20050148592-A1 Use of riboflavin and flavin derivatives as chitinase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2005-07-07 US disclosed
US-20050130913-A1 Synergistic insecticidal mixtures BAYER CROPSCIENCE AG (DE) 2005-06-16 US disclosed
US-6875766-B2 Use of riboflavin and flavin derivatives as chitinase inhibitors BAYER AG (DE) 2005-04-05 US disclosed
US-20040097522-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2004-05-20 US disclosed
CN-1474651-A Use of riboflavin and flavin derivatives as chitinase inhibitors 2004-02-11 CN disclosed
US-20030191091-A1 Use of riboflavin and flavin derivatives as chitinase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2003-10-09 US disclosed
US-6013664-A REACTING THIOPHENE-2-CARBOXYLIC ACID DERIVATIVE WITH AMINE, HYDROXY OR MERCAPTO DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-11 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 (10 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-20070078171-A1 Synergistic insecticide mixtures DDT, AS3MT, ACHE KMT2A 1141/4885MEN1 1998/4885ALDH1A1 2935/4885
US-20100216637-A1 Synergistic Insecticide Mixtures DDT, AS3MT, ACHE KMT2A 1141/4885MEN1 1998/4885ALDH1A1 2935/4885
US-20030191091-A1 Use of riboflavin and flavin derivatives as chitinase inhibitors BLVRB, CHIA, CHIT1 KMT2A 3660/4885MEN1 2960/4885ALDH1A1 1128/4885
US-20060063829-A1 Synergistic insecticide mixtures DDT, MMAB, MEP1B KMT2A 3058/4885MEN1 1059/4885ALDH1A1 3179/4885
US-20050148592-A1 Use of riboflavin and flavin derivatives as chitinase inhibitors BLVRB, CHIA, CHIT1 KMT2A 3660/4885MEN1 2960/4885ALDH1A1 1128/4885
US-20050130913-A1 Synergistic insecticidal mixtures API5, BIRC5, TMBIM6 KMT2A 1589/4885MEN1 339/4885ALDH1A1 2584/4885
US-20080139388-A1 Synergistic Insecticide Mixtures MAT2B, DDT, MSRB3 KMT2A 1144/4885MEN1 2869/4885ALDH1A1 3522/4885
US-20090156399-A1 Synergistic Insecticide Mixtures NISCH, SCN3A, CYP51A1 KMT2A 3981/4885MEN1 3358/4885ALDH1A1 3702/4885
US-20080261811-A1 Synergistic Mixtures Exhibiting Insecticidal and Fungicidal Action MLX, BROX, BMX KMT2A 1086/4885MEN1 2975/4885ALDH1A1 3734/4885
US-20040097522-A1 Triazolopyrimidines Q6ZSR9, CYP4X1, DDT KMT2A 2281/4885MEN1 2652/4885ALDH1A1 373/4885

“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.