SCHEMBL6374641

SCHEMBL6374641

O=C(O)c1ccc(-c2nnc(-c3ccc(N4CCN(c5ccccn5)CC4)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPK1 P28482 1/20 0.55
SLC6A7 Q99884 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CHEK2 O96017 1/20 0.49
METAP1 P53582 1/20 0.47
KDM4E B2RXH2 5/20 0.46
KMT2A Q03164 3/20 0.46
HTR1A P08908 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CSNK2A2 P19784 2/20 0.45
CSNK2A1 P68400 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KCNH2 Q12809 1/20 0.45
CSNK2B P67870 1/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL6373109 0.87 NPC1 (0.58) ALDH1A1SLC6A7METAP1NPC1RAB9A
SCHEMBL6375649 0.87 KMT2A (0.58) ALDH1A1MAPK1SLC6A7L3MBTL1CHEK2
SCHEMBL7340640 0.80 CSNK2A2 (0.54) ALDH1A1MAPK1L3MBTL1KDM4EKMT2A
SCHEMBL6374827 0.80 HDAC3 (0.48) ALDH1A1MAPK1SLC6A7L3MBTL1CHEK2
SCHEMBL6134818 0.76 POLB (0.51) ALDH1A1MAPK1KDM4ECSNK2A2CSNK2A1
SCHEMBL6427613 0.76 CHEK2 (0.64) ALDH1A1MAPK1SLC6A7L3MBTL1CHEK2
SCHEMBL6135547 0.75 HRH3 (0.52) L3MBTL1KMT2ACSNK2A2CSNK2A1CSNK2B
SCHEMBL6132254 0.75 KDM4E (0.47) ALDH1A1KDM4EKMT2ACSNK2A2CSNK2A1
SCHEMBL17656010 0.75 CSNK2A2 (0.69) ALDH1A1KDM4ENPC1RAB9ACSNK2A2
SCHEMBL27527905 0.75 CSNK2A2 (0.48) ALDH1A1KDM4ECSNK2A2CSNK2A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 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-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 ALDH1A1 4014/4885MAPK1 1625/4885SLC6A7 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.