SCHEMBL6132331

SCHEMBL6132331

COCCCCCOC1CCN(c2ccc(-c3nnc(N)s3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 7/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR119 Q8TDV5 1/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
MGAM O43451 4/20 0.37
GAA P10253 4/20 0.37
SI P14410 4/20 0.37
MGAM2 Q2M2H8 4/20 0.37
HPGD P15428 1/20 0.37
NOTUM Q6P988 1/20 0.36

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
SCHEMBL6135056 0.89 RAB9A (0.57) RAB9AMAPTLMNAKDM4ETP53
SCHEMBL6134574 0.87 KDM4E (0.53) RAB9AMAPTLMNAKDM4ETP53
SCHEMBL6133193 0.87 SMN1; SMN2 (0.45) RAB9AMAPTLMNAKDM4EALDH1A1
SCHEMBL6134927 0.86 RAB9A (0.43) RAB9AMAPTLMNAKDM4ETP53
SCHEMBL6134831 0.85 RAB9A (0.44) RAB9AMAPTLMNAKDM4ETP53
SCHEMBL6132745 0.85 RAB9A (0.41) RAB9AMAPTLMNAKDM4ETP53
SCHEMBL6134446 0.84 KDM4E (0.51) RAB9AMAPTLMNAKDM4ETP53
SCHEMBL6132376 0.84 CSNK2A2 (0.46) ALDH1A1HRH3
SCHEMBL6934067 0.83 ALDH1A1 (0.41) RAB9AMAPTLMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6132312 0.83 CSNK2A2 (0.45) ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
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 RAB9A 3506/4885MAPT 3424/4885LMNA 2471/4885

“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.