SCHEMBL4456375

SCHEMBL4456375

Cn1ncc(C(=O)NCCc2ccc(Cl)cc2Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 1/20 0.52
CNR1 P21554 3/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL4456501 0.78 HIF1A (0.53) P2RX7KMT2ALMNACNR1MEN1
SCHEMBL2852998 0.77 NPC1 (0.59) P2RX7KMT2ALMNACNR1ALDH1A1
SCHEMBL15953021 0.76 LIPG (0.61) P2RX7KMT2ALMNACNR1MEN1
SCHEMBL14834496 0.76 KMT2A (0.53) P2RX7KMT2ALMNACNR1MEN1
SCHEMBL28646625 0.75 CASP1 (0.57) P2RX7KMT2ALMNACNR1MEN1
SCHEMBL31683857 0.75 CASP1 (0.57) P2RX7KMT2ALMNACNR1MEN1
SCHEMBL27081876 0.75 KMT2A (0.60) P2RX7KMT2ALMNACNR1MEN1
SCHEMBL29974694 0.75 KMT2A (0.60) P2RX7KMT2ALMNACNR1MEN1
SCHEMBL4041461 0.72 KMT2A (0.63) KMT2ALMNACNR1MEN1TRPV1
SCHEMBL13245879 0.72 CNR1 (0.52) P2RX7KMT2ACNR1MEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954674-B1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-03-16 EP claimed
US-20090170924-A1 N-Phenethylcarboxamide Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-07-02 US claimed
EP-1954674-A1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2008-08-13 EP claimed
WO-2007060166-A1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-05-31 WO claimed
EP-1787981-A1 New N-phenethylcarboxamide derivatives Bayer CropScience S.A. (FR) 2007-05-23 EP claimed
US-9440946-B2 N-phenethylcarboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-13 US disclosed
EP-1954674-B1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-03-16 EP disclosed
US-20090170924-A1 N-Phenethylcarboxamide Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-07-02 US disclosed
EP-1954674-A1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2008-08-13 EP disclosed
WO-2007060166-A1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-05-31 WO disclosed
EP-1787981-A1 New N-phenethylcarboxamide derivatives Bayer CropScience S.A. (FR) 2007-05-23 EP 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 (1 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-20090170924-A1 N-Phenethylcarboxamide Derivatives GANC, KCNH1, GANAB P2RX7 542/4885KMT2A 830/4885LMNA 1170/4885

“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.