SCHEMBL4450882

SCHEMBL4450882

NNC=O.O=C(Nc1ccccc1)c1ccc2c(c1)Cc1ccccc1O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 2/20 0.50
NFKB1 P19838 1/20 0.50
MAOB P27338 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.45
MAPT P10636 3/20 0.44
PLAU P00749 2/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41

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
SCHEMBL29429630 0.75 SRD5A2 (0.58) MAOBALDH1A1ACSL1
SCHEMBL6621488 0.75 SRD5A2 (0.58) MAOBALDH1A1ACSL1
SCHEMBL28014889 0.74 SRD5A2 (0.57) MAOBALDH1A1ACSL1
SCHEMBL27736976 0.74 MAOA (0.59) NPC1RAB9ASMN1; SMN2MAOBMAPT
SCHEMBL9698365 0.72 MAOA (0.57) NPC1RAB9ASMN1; SMN2MAOBMAPT
SCHEMBL10845751 0.71 MAOA (0.55) NPC1RAB9AMAOBMAPTPOLB
Acetic Acid Methyl Ester SCHEMBL28693641 0.71 SRD5A2 (0.50) MAOBALDH1A1ACSL1
SCHEMBL23847351 0.71 MAOA (0.50) NPC1RAB9ASMN1; SMN2MAOBKMT2A
SCHEMBL28398381 0.71 ALOX5 (0.58) RAB9AMAOBALDH1A1HPGDNAMPT
SCHEMBL14124825 0.71 SRD5A2 (0.51) NPC1RAB9AMAOBMAPTALDH1A1

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 14 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-20090156399-A1 Synergistic Insecticide Mixtures BAYER CROPSCIENCE AG (DE) 2009-06-18 US disclosed
CN-100475037-C Synergistic insecticide mixtures BAYER CROPSCIENCE AG (DE) 2009-04-08 CN disclosed
US-20080261811-A1 Synergistic Mixtures Exhibiting Insecticidal and Fungicidal Action BAYER CROPSCIENCE AG (DE) 2008-10-23 US disclosed
CN-101242741-A Synergistic insecticidal mixture BAYER CROPSCIENCE AG (DE) 2008-08-13 CN disclosed
US-20080139388-A1 Synergistic Insecticide Mixtures BAYER CROPSCIENCE AG (DE) 2008-06-12 US disclosed
CN-1867255-A Insecticidal mixtures having synergistic effect BAYER CROPSCIENCE AG (DE) 2006-11-22 CN 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
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 (8 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-20030191091-A1 Use of riboflavin and flavin derivatives as chitinase inhibitors BLVRB, CHIA, CHIT1 NPC1 3401/4885RAB9A 3407/4885SMN1; SMN2 4442/4885
US-20060063829-A1 Synergistic insecticide mixtures DDT, MMAB, MEP1B NPC1 4192/4885RAB9A 3798/4885SMN1; SMN2 3574/4885
US-20050148592-A1 Use of riboflavin and flavin derivatives as chitinase inhibitors BLVRB, CHIA, CHIT1 NPC1 3401/4885RAB9A 3407/4885SMN1; SMN2 4442/4885
US-20050130913-A1 Synergistic insecticidal mixtures API5, BIRC5, TMBIM6 NPC1 4026/4885RAB9A 1557/4885SMN1; SMN2 1146/4885
US-20080139388-A1 Synergistic Insecticide Mixtures MAT2B, DDT, MSRB3 NPC1 4850/4885RAB9A 4505/4885SMN1; SMN2 903/4885
US-20090156399-A1 Synergistic Insecticide Mixtures NISCH, SCN3A, CYP51A1 NPC1 3620/4885RAB9A 2063/4885SMN1; SMN2 149/4885
US-20080261811-A1 Synergistic Mixtures Exhibiting Insecticidal and Fungicidal Action MLX, BROX, BMX NPC1 4773/4885RAB9A 3725/4885SMN1; SMN2 1324/4885
US-20040097522-A1 Triazolopyrimidines Q6ZSR9, CYP4X1, DDT NPC1 4283/4885RAB9A 1459/4885SMN1; SMN2 3409/4885

“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.