SCHEMBL6135271

SCHEMBL6135271

COc1ccc(N2CCC(Oc3ccc(-c4nnc(-c5ccc(C(=O)O)cc5)s4)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.53
CSNK2A1 P68400 3/20 0.53
USP2 O75604 2/20 0.48
KCNH2 Q12809 2/20 0.47
HRH1 P35367 1/20 0.47
CCR3 P51677 1/20 0.47
HRH3 Q9Y5N1 4/20 0.47
NR1H4 Q96RI1 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACACB O00763 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SRD5A1 P18405 1/20 0.43
MCHR1 Q99705 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
SCHEMBL6134838 0.91 USP2 (0.48) CSNK2A2CSNK2A1USP2KCNH2HRH3
SCHEMBL6135244 0.90 SRD5A1 (0.50) CSNK2A2CSNK2A1USP2KCNH2HRH1
SCHEMBL6134747 0.84 NPC1 (0.48) USP2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL6134954 0.84 MKNK1 (0.47) CSNK2A2CSNK2A1USP2KCNH2HRH1
SCHEMBL6134951 0.83 CA12 (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6134325 0.83 KDM4E (0.61) USP2HRH3NPC1RAB9AKDM4E
SCHEMBL6135380 0.81 HDAC3 (0.60) USP2HRH3NPC1RAB9AALDH1A1
SCHEMBL6135503 0.80 CSNK2A2 (0.52) CSNK2A2CSNK2A1USP2KCNH2HRH1
SCHEMBL6539281 0.80 CSNK2A2 (0.75) CSNK2A2CSNK2A1NR1H4NPC1RAB9A
Hydrochloric Acid SCHEMBL7314046 0.79 CSNK2A2 (0.49) CSNK2A2CSNK2A1USP2HRH3NR1H4

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 CSNK2A2 1527/4885CSNK2A1 961/4885USP2 4776/4885

“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.