SCHEMBL6375663

SCHEMBL6375663

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(N3CCN(c4ncccn4)CC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 5/20 0.51
SLC6A7 Q99884 4/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6375161 0.86 KMT2A (0.61) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL13149365 0.83 SLC6A7 (0.70) KMT2AALDH1A1KDM4ESLC6A7HPGD
SCHEMBL6376053 0.82 RAB9A (0.56) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL7341735 0.81 ALDH1A1 (0.60) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL6375221 0.80 RAB9A (0.67) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL6374844 0.79 RAB9A (0.66) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL22495384 0.78 RAB9A (0.72) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL6133671 0.77 MAPT (0.53) KMT2AMAPTALDH1A1KDM4EDRD2
SCHEMBL6798850 0.76 RAB9A (0.74) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL6134989 0.76 ALDH1A1 (0.51) KMT2AALDH1A1KDM4EL3MBTL1

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

“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.