SCHEMBL5014444

SCHEMBL5014444

[CH2]C(=O)NCc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
KMT2A Q03164 1/20 0.62
MTNR1A P48039 2/20 0.57
CHRNB2 P17787 1/20 0.56
CHRNA4 P43681 1/20 0.56
CA2 P00918 2/20 0.54
BCHE P06276 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.51
ANPEP P15144 1/20 0.50
P2RX7 Q99572 1/20 0.49

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
SCHEMBL22323341 0.85 MEN1 (0.66) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL404391 0.84 MEN1 (0.69) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL1566774 0.84 MEN1 (0.64) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL27548891 0.83 KMT2A (0.59) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL5999001 0.82 NQO2 (0.62) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL1386334 0.82 MEN1 (0.62) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL1386337 0.82 MTNR1A (0.76) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL647494 0.81 MEN1 (0.57) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL4432071 0.81 KMT2A (0.65) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL6565730 0.80 KMT2A (0.56) MEN1MAPTKMT2AMTNR1ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
EP-2999338-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2016-03-30 EP disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 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 (2 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-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, ACHE, NISCH MEN1 2294/4885MAPT 4125/4885KMT2A 831/4885
US-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 MEN1 3212/4885MAPT 3856/4885KMT2A 4544/4885

“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.