SCHEMBL6134717

SCHEMBL6134717

NNC(=O)c1ccc(N2CCN(C3CCCC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
L3MBTL3 Q96JM7 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MBTD1 Q05BQ5 1/20 0.51
TP53BP1 Q12888 1/20 0.51
L3MBTL4 Q8NA19 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALOX15 P16050 1/20 0.51
HDAC3 O15379 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HRH3 Q9Y5N1 2/20 0.50
SMYD3 Q9H7B4 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ESR1 P03372 3/20 0.47
ESR2 Q92731 1/20 0.47
ESRRA P11474 2/20 0.46
ESRRG P62508 2/20 0.46

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
SCHEMBL6134192 0.99 ITGB3 (0.51) ITGB3ITGA2BL3MBTL3L3MBTL1MBTD1
SCHEMBL6135305 0.89 HRH3 (0.51) ITGB3ITGA2BL3MBTL3L3MBTL1MBTD1
SCHEMBL6132283 0.88 MEN1 (0.55) ITGB3ITGA2BL3MBTL3L3MBTL1MBTD1
SCHEMBL6370036 0.88 HRH3 (0.47) ITGB3ITGA2BL3MBTL3L3MBTL1MBTD1
SCHEMBL3085835 0.84 AOC2 (0.59) ITGB3ITGA2BL3MBTL1MEN1KMT2A
SCHEMBL6132502 0.83 KDM4E (0.51) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL6134210 0.82 MEN1 (0.46) ITGB3ITGA2BL3MBTL3L3MBTL1MBTD1
SCHEMBL30361159 0.82 HRH3 (0.65) ITGB3ITGA2BL3MBTL3L3MBTL1MBTD1
SCHEMBL30476653 0.81 HDAC6 (0.71) L3MBTL1MEN1KMT2AALOX15SMYD3
SCHEMBL3968371 0.81 KMT2A (0.74) ITGB3ITGA2BL3MBTL3L3MBTL1MBTD1

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 ITGB3 1732/4885ITGA2B 3776/4885L3MBTL3 3782/4885

“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.