SCHEMBL6375161

SCHEMBL6375161

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(N3CCN(c4ccccn4)CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MEN1 O00255 1/20 0.54
KDM4E B2RXH2 6/20 0.53
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 6/20 0.51
HSD17B10 Q99714 5/20 0.51
MAPK1 P28482 3/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
HPGD P15428 2/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
SLC6A7 Q99884 1/20 0.50

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
SCHEMBL6375663 0.86 RAB9A (0.63) KMT2ANPC1RAB9AKDM4EL3MBTL1
SCHEMBL6375649 0.83 KMT2A (0.58) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL6379081 0.81 CA2 (0.58) KMT2AMEN1KDM4EPOLBL3MBTL1
SCHEMBL6374746 0.81 KDM4E (0.71) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL21771103 0.80 RAB9A (0.68) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL31504246 0.80 RAB9A (0.68) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL22495402 0.79 NPC1 (0.56) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL7341735 0.78 ALDH1A1 (0.60) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL22495270 0.78 MAPT (0.67) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL22495210 0.78 RAB9A (0.71) KMT2ANPC1RAB9AMEN1L3MBTL1

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.