SCHEMBL1758545

SCHEMBL1758545

COc1ccc(Cl)cc1N[C]=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 7/20 0.53
TP53 P04637 1/20 0.51
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNMA1 Q12791 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL7530691 0.86 LPAR1 (0.49) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL1758610 0.80 KMT2A (0.53) KMT2AMEN1ALDH1A1TP53POLB
SCHEMBL1758833 0.80 ACHE (0.50) KMT2AMEN1ALDH1A1TP53POLB
SCHEMBL23565733 0.79 KMT2A (0.61) KMT2AMEN1ALDH1A1TP53POLB
SCHEMBL8329121 0.79 KMT2A (0.61) KMT2AMEN1ALDH1A1TP53POLB
SCHEMBL9227908 0.77 KMT2A (0.59) KMT2AMEN1ALDH1A1TP53POLB
SCHEMBL7530969 0.76 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1TP53POLB
SCHEMBL5470225 0.76 HTT (0.49) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL20083930 0.76 KMT2A (0.57) KMT2AMEN1ALDH1A1TP53POLB
SCHEMBL1758539 0.76 RAPGEF4 (0.50) ALDH1A1POLBLMNATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO 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-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 KMT2A 671/4885MEN1 3204/4885ALDH1A1 952/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 KMT2A 2948/4885MEN1 2892/4885ALDH1A1 1861/4885

“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.