SCHEMBL5493793

SCHEMBL5493793

Cn1ncc(NC(=O)N2CCN(C(=O)O)CC2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.39
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.37
SHMT2 P34897 1/20 0.37
LMNA P02545 4/20 0.36
HTT P42858 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5493363 0.87 MAPT (0.44) KDM4EPOLBKMT2ALMNAHTT
SCHEMBL6426793 0.86 KDM4E (0.38) KDM4EHSD17B10ALDH1A1TDP1POLB
SCHEMBL3119092 0.83 LPAR1 (0.38) KDM4EALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL5493346 0.83 HDAC1 (0.35) KDM4ETRPV1
SCHEMBL5500438 0.82 KMT2A (0.33) KDM4EALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL6425412 0.82 ALDH1A1 (0.37) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL6065837 0.82 LPAR1 (0.37) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL5497058 0.81 HDAC1 (0.39) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL5496605 0.81 HDAC1 (0.39) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL5499584 0.81 HDAC1 (0.39) KDM4EHSD17B10ALDH1A1POLBKMT2A

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 8 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
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 KDM4E 3379/4885HSD17B10 207/4885ALDH1A1 1158/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 KDM4E 3077/4885HSD17B10 145/4885ALDH1A1 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.