SCHEMBL6538532

SCHEMBL6538532

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(OCCCOc3ccccc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
RAB9A P51151 4/20 0.77
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 2/20 0.55
ALDH1A1 P00352 3/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.51
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL7324996 0.96 MAPT (0.71) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7316966 0.93 MAPT (0.71) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6539224 0.92 MAPT (0.90) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL14499659 0.90 MAPT (0.62) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL24844734 0.89 MAPT (0.90) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6539337 0.88 MAPT (0.70) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7317665 0.88 MAPT (0.82) MAPTRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL5284759 0.88 MAPT (1.00) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7325780 0.87 MAPT (0.68) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7336081 0.87 MAPT (0.68) MAPTRAB9AKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA MAPT 3196/4885RAB9A 3674/4885KMT2A 4730/4885

“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.