SCHEMBL6134838

SCHEMBL6134838

COC(=O)c1ccc(-c2nnc(-c3ccc(OC4CCN(c5ccc(OC)cc5)CC4)cc3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
ACACB O00763 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
DDX3X O00571 1/20 0.43
MEN1 O00255 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MCHR1 Q99705 2/20 0.42
KCNH2 Q12809 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
SCHEMBL6134747 0.92 NPC1 (0.48) USP2ACACBHRH3RAB9ANPC1
SCHEMBL6135271 0.91 CSNK2A2 (0.53) USP2ACACBHRH3CSNK2A2CSNK2A1
SCHEMBL6135380 0.83 HDAC3 (0.60) USP2HRH3RAB9ANPC1MAPT
SCHEMBL6135625 0.83 ALDH1A1 (0.52) ACACBHRH3RAB9ANPC1KMT2A
SCHEMBL6134697 0.82 CSNK2A2 (0.43) USP2HRH3CSNK2A2CSNK2A1RAB9A
SCHEMBL6134325 0.82 KDM4E (0.61) USP2HRH3RAB9ANPC1KDM4E
SCHEMBL6135244 0.81 SRD5A1 (0.50) USP2ACACBCSNK2A2CSNK2A1ALDH1A1
SCHEMBL6539013 0.81 CA1 (0.66) CSNK2A2CSNK2A1RAB9ANPC1KMT2A
SCHEMBL7339724 0.80 ALDH1A1 (0.52) USP2HRH3RAB9ANPC1KMT2A
SCHEMBL6934067 0.79 ALDH1A1 (0.41) USP2ACACBHRH3CSNK2A2CSNK2A1

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 USP2 4776/4885ACACB 4561/4885HRH3 1440/4885

“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.