SCHEMBL5500438

SCHEMBL5500438

Cn1ncc(NC(=O)C2CN(C(=O)O)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
KAT2B Q92831 6/20 0.32
BRD9 Q9H8M2 3/20 0.32
BRD1 O95696 1/20 0.32

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
SCHEMBL5500866 0.88 PARP1 (0.41) KDM4E
SCHEMBL5493793 0.82 KDM4E (0.42) KMT2AKDM4EALDH1A1SMN1; SMN2TP53
Pivalate SCHEMBL27620840 0.82 SSTR4 (0.37) HDAC2RXFP1PIK3CDPIM1PIK3CA
SCHEMBL3119092 0.81 LPAR1 (0.38) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5499882 0.81 PTPN2 (0.50) KMT2AMEN1KDM4ETP53
SCHEMBL6425412 0.80 ALDH1A1 (0.37) KMT2AHDAC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6065837 0.80 LPAR1 (0.37) KMT2AMEN1KDM4EALDH1A1KAT2B
SCHEMBL6427739 0.80 TRPV1 (0.40) KDM4E
SCHEMBL5495007 0.80 TRPV1 (0.40) KDM4E
SCHEMBL6065834 0.79 LPAR1 (0.36) KMT2AMEN1KAT2BBRD9BPTF

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 KMT2A 2510/4885HDAC3 2475/4885HDAC1 4035/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 KMT2A 2826/4885HDAC3 2434/4885HDAC1 4104/4885

“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.