SCHEMBL9907329

SCHEMBL9907329

O=C(O)c1ccc2cccc(-c3ccccc3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
KMT2A Q03164 2/20 0.62
MGAM O43451 1/20 0.53
MMP2 P08253 4/20 0.51
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ACMSD Q8TDX5 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
DHODH Q02127 1/20 0.44
PIM1 P11309 1/20 0.44
HNF4A P41235 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL2117716 0.83 KDM4E (0.58) KDM4EKMT2AMGAMMMP2ALOX15
SCHEMBL9907327 0.83 PDCD1 (0.45) KDM4EKMT2AMMP2
SCHEMBL1721889 0.81 KMO (0.52) KDM4EKMT2AMMP2MEN1PARP1
SCHEMBL1724445 0.81 KDM4E (0.49) KDM4EKMT2AMGAMMMP2ALOX15
SCHEMBL9907985 0.81 SLC9A1 (0.46) KDM4EKMT2APIM1PARP1
SCHEMBL4579857 0.80 CCNC (0.64) KDM4EKMT2AMGAMMMP2ALOX15
Biphenyl SCHEMBL28885084 0.80 KDM4E (0.84) KDM4EKMT2AMGAMMMP2ALOX15
Benzene SCHEMBL27872024 0.79 KDM4E (0.70) KDM4EKMT2AMGAMMMP2ALOX15
SCHEMBL2120585 0.79 KDM4E (0.53) KDM4EKMT2AMGAMMMP2ALOX15
SCHEMBL1724463 0.78 KDM4E (0.48) KDM4EKMT2AMMP2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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 (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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KDM4E 1474/4885KMT2A 1729/4885MGAM 4124/4885

“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.