SCHEMBL6375649

SCHEMBL6375649

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 7/20 0.48
MAPK1 P28482 2/20 0.48
SLC6A7 Q99884 1/20 0.48
HSD17B10 Q99714 6/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CHEK2 O96017 1/20 0.46
USP2 O75604 2/20 0.45
TSHR P16473 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 2/20 0.43

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
SCHEMBL6376053 0.88 RAB9A (0.56) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL6374641 0.87 ALDH1A1 (0.55) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL6375161 0.83 KMT2A (0.61) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL6374827 0.82 HDAC3 (0.48) KMT2ANPC1RAB9AKDM4EL3MBTL1
SCHEMBL7339724 0.82 ALDH1A1 (0.52) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL6134745 0.78 CHKA (0.50) L3MBTL1POLBALDH1A1MAPK1MAPT
SCHEMBL6135132 0.77 HRH3 (0.56) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL7313399 0.77 KMT2A (0.53) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL6134442 0.77 HRH3 (0.55) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL6374746 0.76 KDM4E (0.71) KMT2ANPC1RAB9AMEN1KDM4E

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 KMT2A 4485/4885NPC1 705/4885RAB9A 2517/4885

“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.