SCHEMBL6132560

SCHEMBL6132560

COC(=O)c1ccc(-c2nnc(-c3ccc(N4CCC(OC)(C5CCCCC5)CC4)cc3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.48
PDE7A Q13946 3/20 0.48
ALDH1A1 P00352 5/20 0.41
HRH3 Q9Y5N1 3/20 0.40
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
USP2 O75604 1/20 0.36
CPT1A P50416 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL6376063 0.99 PDE4D (0.46) PDE4DPDE7AALDH1A1HRH3KMT2A
SCHEMBL6132510 0.91 PDE4D (0.44) PDE4DPDE7AHRH3USP2
SCHEMBL6374773 0.90 USP2 (0.43) PDE4DPDE7AHRH3USP2
SCHEMBL13099125 0.89 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL6134823 0.87 HRH3 (0.38) PDE4DPDE7AHRH3MAPTUSP2
SCHEMBL6132812 0.85 HRH3 (0.38) PDE4DPDE7AHRH3RAB9ANPC1
SCHEMBL6132815 0.84 ALDH1A1 (0.41) ALDH1A1HRH3KDM4ERAB9AUSP2
SCHEMBL6132635 0.84 HDAC3 (0.46) PDE4DPDE7AHRH3RAB9ANPC1
SCHEMBL13098814 0.83 HRH3 (0.39) HRH3RAB9ANPC1USP2
SCHEMBL6132402 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 PDE4D 1912/4885PDE7A 670/4885ALDH1A1 4718/4885

“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.