SCHEMBL5499545

SCHEMBL5499545

Nc1c(NC=O)cnn1CCO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.30
NR1I2 O75469 1/20 0.30
AHR P35869 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KIT P10721 1/20 0.30

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
SCHEMBL27805081 0.80 BRD4 (0.36) MAPTALDH1A1
SCHEMBL14223672 0.78 CYP1A2 (0.36) CYP1A2SMN1; SMN2KIT
SCHEMBL3121390 0.77 ALDH1A1 (0.35) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL5148651 0.75 CYP1A2 (0.36) CYP1A2MAPTALDH1A1NR1I2AHR
SCHEMBL5494790 0.74 KAT2B (0.37)
SCHEMBL13809854 0.72 CYP1A2 (0.32) CYP1A2KIT
SCHEMBL27639661 0.72 TSHR (0.51) CYP1A2MAPTALDH1A1SMN1; SMN2KIT
SCHEMBL33881 0.71 CYP1A2 (0.42) CYP1A2MAPTALDH1A1NR1I2AHR
SCHEMBL4199889 0.70 GAA (0.32)
SCHEMBL7108391 0.70 KDM4E (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
CN-103772284-A Method for preparing 4,5-diamido-1-(2-ethoxy) pyrazol sulfate SHENYANG RES INST OF PHOTOGRAPHIC MATERIALS & CHEMICAL INDUSTRY 2014-05-07 CN disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 CYP1A2 315/4885MAPT 2537/4885ALDH1A1 1158/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CYP1A2 443/4885MAPT 3238/4885ALDH1A1 908/4885

“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.