SCHEMBL3110778

SCHEMBL3110778

CN(C(=O)c1ccc(Cl)c(N)c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 2/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
PLAU P00749 1/20 0.56
POLB P06746 1/20 0.54
HTT P42858 2/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAOA P21397 2/20 0.49
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
MDM2 Q00987 1/20 0.47
GPR55 Q9Y2T6 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
SCHEMBL4252227 0.86 POLB (0.58) ALDH1A1KDM4EKMT2APLAUPOLB
SCHEMBL11700963 0.83 PLAU (0.57) ALDH1A1KDM4EKMT2AMEN1PLAU
SCHEMBL4300781 0.82 PLAU (0.56) ALDH1A1KDM4EKMT2AMEN1PLAU
SCHEMBL10318165 0.80 KDM4E (0.50) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL5467206 0.79 SMN1; SMN2 (0.50) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL6370559 0.78 KMT2A (0.51) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL10322889 0.78 HPGD (0.68) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL9001653 0.78 KMT2A (0.75) ALDH1A1KDM4EKMT2AMEN1PLAU
SCHEMBL3110750 0.77 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL12311615 0.77 KMT2A (0.64) ALDH1A1KDM4EKMT2AMEN1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
CN-101663302-B Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL 2013-07-24 CN disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
CN-101663302-A Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL 2010-03-03 CN disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 EP disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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 (3 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 ALDH1A1 1875/4885KDM4E 4108/4885KMT2A 1132/4885
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 ALDH1A1 1048/4885KDM4E 930/4885KMT2A 1101/4885
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR ALDH1A1 3357/4885KDM4E 1594/4885KMT2A 2609/4885

“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.