SCHEMBL9907335

SCHEMBL9907335

O=C(O)c1ccc2ccnc(-c3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.55
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
IP6K1 Q92551 3/20 0.46
IP6K3 Q96PC2 3/20 0.46
IP6K2 Q9UHH9 3/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2C Q14957 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL9907334 0.84 CYP19A1 (0.49) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL28752978 0.83 MAP2K4 (0.53) KDM4EALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL9907904 0.82 PLAU (0.50) PLAUPLG
SCHEMBL9907374 0.80 PLAU (0.50) PLAUGRIN2DGRIN2AGRIN2CPLA2G2D
SCHEMBL9907693 0.80 PLAU (0.50) PLAUKDM4EALDH1A1CSNK2A2CSNK2B
SCHEMBL16502684 0.80 PLAU (0.50) PLAUKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL3180141 0.79 ESR1 (0.46) PLAUKDM4EALDH1A1NPC1RAB9A
SCHEMBL9909158 0.78 KMT2A (0.46) PLAUKDM4ERAB9AGRIN2DGRIN2A
SCHEMBL9907384 0.78 PLAU (0.46) PLAUKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL28608865 0.77 PLAU (0.60) PLAUKDM4EALDH1A1HPGDHSD17B10

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 PLAU 3322/4885KDM4E 1474/4885ALDH1A1 1799/4885

“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.