SCHEMBL6134325

SCHEMBL6134325

COc1ccc(N2CCC(Oc3ccc(-c4nnc(N)s4)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 3/20 0.61
TP53 P04637 2/20 0.61
HSD17B10 Q99714 2/20 0.61
HRH3 Q9Y5N1 5/20 0.50
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
QPCT Q16769 2/20 0.44
QPCTL Q9NXS2 1/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APP P05067 5/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL6135271 0.83 CSNK2A2 (0.53) KDM4EALDH1A1HRH3RAB9ASMN1; SMN2
SCHEMBL6134838 0.82 USP2 (0.48) KDM4EMAPTALDH1A1HRH3RAB9A
SCHEMBL6134446 0.80 KDM4E (0.51) KDM4EMAPTALDH1A1TP53HSD17B10
SCHEMBL6132879 0.79 KDM4E (0.43) KDM4EMAPTALDH1A1TP53HSD17B10
SCHEMBL6135056 0.79 RAB9A (0.57) KDM4EMAPTALDH1A1TP53HSD17B10
SCHEMBL1143740 0.78 KDM4E (1.00) KDM4EMAPTALDH1A1TP53HSD17B10
SCHEMBL6134574 0.78 KDM4E (0.53) KDM4EMAPTALDH1A1TP53HSD17B10
SCHEMBL7325400 0.78 KDM4E (0.56) KDM4EMAPTALDH1A1TP53HSD17B10
SCHEMBL6132331 0.77 RAB9A (0.44) KDM4EMAPTALDH1A1TP53HSD17B10
SCHEMBL27903833 0.77 KDM4E (0.96) KDM4EMAPTALDH1A1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 KDM4E 4301/4885MAPT 1629/4885ALDH1A1 3841/4885

“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.