SCHEMBL6375221

SCHEMBL6375221

NNC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.67
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
SLC6A7 Q99884 3/20 0.52
KDM4E B2RXH2 5/20 0.51
HTT P42858 2/20 0.51
AOC2 O75106 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR1A P08908 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
SCHEMBL3085835 0.86 AOC2 (0.59) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL6379081 0.85 CA2 (0.58) CA2CA7CA9SLC6A7KDM4E
SCHEMBL7651633 0.82 NPC1 (0.55) RAB9ANPC1CA1CA2CA7
SCHEMBL6798850 0.81 RAB9A (0.74) RAB9ANPC1MAPTLMNASLC6A7
SCHEMBL7655169 0.81 KDM4E (0.67) RAB9ANPC1CA1CA2CA7
SCHEMBL7651659 0.81 RAB9A (0.54) RAB9ANPC1CA1CA2CA7
SCHEMBL7657754 0.80 KDM4E (0.58) RAB9ANPC1CA1CA2CA7
SCHEMBL6375663 0.80 RAB9A (0.63) RAB9ANPC1CA1CA2CA7
SCHEMBL6799312 0.79 RAB9A (0.55) RAB9ANPC1CA1CA2CA7
SCHEMBL6799038 0.79 NPC1 (0.55) RAB9ANPC1CA1CA2CA7

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 705/4885CA1 2327/4885

“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.