SCHEMBL4164473

SCHEMBL4164473

Cc1sccc1C(=O)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
NR4A1 P22736 1/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 2/20 0.36
GSK3B P49841 1/20 0.36
HPGD P15428 3/20 0.36
KEAP1 Q14145 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 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
SCHEMBL15853778 0.81 CLK1 (0.38) NAMPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL4164088 0.81 ABCC1 (0.38) NAMPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL31362591 0.79 ABCC1 (0.45) KMT2AMEN1SMN1; SMN2MAPTTDP1
SCHEMBL25412667 0.78 NAMPT (0.45) NAMPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL9350639 0.78 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL453497 0.76
SCHEMBL1286667 0.76
SCHEMBL9689296 0.75 GAA (0.38) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL16993652 0.75 KMT2A (0.37) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL5234734 0.75 HTT (0.41) KMT2AMEN1SMN1; SMN2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021003310-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
EP-1776011-B1 FUNGICIDAL COMPOSITION CONTAINING AN ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2012-03-21 EP disclosed
US-8039420-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-10-18 US disclosed
US-7829501-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-11-09 US disclosed
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases ISHIHARA SANGYO KAISHA LTD (JP) 2008-12-25 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 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 (5 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R NAMPT 2000/4885KMT2A 4088/4885MEN1 3261/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R NAMPT 2000/4885KMT2A 4088/4885MEN1 3261/4885
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases AADAC, NAT1, TH NAMPT 2805/4885KMT2A 237/4885MEN1 2049/4885
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 NAMPT 1804/4885KMT2A 818/4885MEN1 3533/4885
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 NAMPT 1804/4885KMT2A 818/4885MEN1 3533/4885

“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.