SCHEMBL6135547

SCHEMBL6135547

O=C(O)c1ccc(-c2nnc(-c3ccc(N4CCN(C5CCCC5)CC4)cc3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.52
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
CSNK2A2 P19784 3/20 0.48
CSNK2A1 P68400 3/20 0.48
USP2 O75604 1/20 0.46
CSNK2B P67870 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44
TP53BP1 Q12888 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHEK1 O14757 2/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
ALOX15 P16050 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
SCHEMBL6134406 0.99 HRH3 (0.53) HRH3ESR1ESR2CSNK2A2CSNK2A1
SCHEMBL6134222 0.99 HRH3 (0.53) HRH3ESR1ESR2CSNK2A2CSNK2A1
SCHEMBL6134820 0.91 HRH3 (0.47) HRH3ESR1ESR2CSNK2A2CSNK2A1
SCHEMBL6135370 0.90 USP2 (0.55) HRH3ESR1ESR2CSNK2A2CSNK2A1
SCHEMBL6135376 0.90 USP2 (0.55) HRH3ESR1ESR2CSNK2A2CSNK2A1
SCHEMBL6374374 0.90 HRH3 (0.54) HRH3ESR1ESR2CSNK2A2CSNK2A1
Hydrochloric Acid SCHEMBL6132609 0.88 HRH3 (0.44) HRH3ESR1ESR2CSNK2A2CSNK2A1
SCHEMBL6132254 0.87 KDM4E (0.47) HRH3CSNK2A2CSNK2A1MEN1KMT2A
SCHEMBL6135132 0.86 HRH3 (0.56) HRH3ESR1ESR2USP2MEN1
SCHEMBL6369559 0.86 USP2 (0.54) HRH3ESR1ESR2USP2MEN1

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 HRH3 1440/4885ESR1 4857/4885ESR2 4751/4885

“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.