SCHEMBL4042725

SCHEMBL4042725

O=CNCCn1cccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
FDPS P14324 1/20 0.37
ADH1B P00325 3/20 0.37
ADH1A P07327 3/20 0.37
ADH7 P40394 3/20 0.37
NAMPT P43490 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
ADH1C P00326 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK1 P28482 1/20 0.34
NLRP3 Q96P20 1/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ADH4 P08319 1/20 0.33

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
SCHEMBL1259205 0.80
SCHEMBL1778746 0.78
SCHEMBL3477001 0.78 KDM4E (0.38) DAOFDPSNAMPTKMT2AKDM4E
SCHEMBL8105773 0.74 DAO (0.39) DAOFDPSTHRBHDAC1HDAC6
SCHEMBL1455889 0.74
SCHEMBL14406687 0.74
SCHEMBL5713341 0.73 DAO (0.50) DAOFDPSTHRBHDAC1HDAC6
SCHEMBL22762248 0.73 MITF (0.41) DAOFDPSKMT2AKDM4EALDH1A1
SCHEMBL4042722 0.73 DAO (0.38) DAOFDPSNAMPTKMT2ATHRB
SCHEMBL22267930 0.73 ALDH1A1 (0.45) KDM4EALDH1A1MAPK1POLB

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
US-20050004094-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
WO-2004101571-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-25 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-20050004094-A1 Cephem compounds CEP170, C1S, CEPT1 DAO 1011/4885FDPS 1325/4885ADH1B 2664/4885
US-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 DAO 2471/4885FDPS 1967/4885ADH1B 3772/4885

“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.