SCHEMBL5148524

SCHEMBL5148524

N#Cc1cnn2c1N(C(c1ccccc1)(c1ccccc1)c1ccccc1)CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CSNK2A1 P68400 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HTT P42858 4/20 0.32
GFER P55789 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.31
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNA3 P22001 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A2 P11168 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL5151718 0.78 CYP2B6 (0.32)
SCHEMBL28752388 0.65
SCHEMBL5147580 0.62 KDM4E (0.34) SMN1; SMN2KDM4EMAPK1
SCHEMBL5147603 0.61 KDM4E (0.33) KDM4E
SCHEMBL29649416 0.60 CYP11B1 (0.50) ALDH1A1HPGDNPSR1CYP11B1CYP11B2
SCHEMBL27753492 0.59 CYP2B6 (0.54) ALDH1A1CYP11B1CYP11B2KDM4EKMT2A
SCHEMBL8092347 0.58 HTT (0.41) ALDH1A1HPGDSMN1; SMN2KDM4EHTT
SCHEMBL19028756 0.57 CYP11B2 (0.41) ALDH1A1HPGDNPSR1CYP11B1CYP11B2
SCHEMBL8139640 0.57 CYP2B6 (0.47) KMT2ACYP2C19KCNA3TSHR
SCHEMBL31230458 0.57 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179801-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-02-20 US disclosed
EP-1392704-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2006-02-22 EP disclosed
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 US disclosed
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 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 (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-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 ALDH1A1 986/4885HPGD 1589/4885NPSR1 2636/4885

“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.