SCHEMBL6539337

SCHEMBL6539337

CCCCOc1ccc(C(=O)NNC(=O)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
LMNA P02545 3/20 0.63
HTT P42858 3/20 0.63
KMT2A Q03164 2/20 0.63
HSP90AA1 P07900 1/20 0.63
RAB9A P51151 4/20 0.62
MMP1 P03956 1/20 0.61
GAA P10253 2/20 0.59
PLK1 P53350 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 3/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
STAT3 P40763 1/20 0.56
AGTR1 P30556 1/20 0.56
CYP2C19 P33261 1/20 0.56
OPRK1 P41145 1/20 0.56
UBE2N P61088 1/20 0.56

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
SCHEMBL7338963 0.97 MAPT (0.66) MAPTLMNAHTTKMT2AHSP90AA1
SCHEMBL7322270 0.96 MAPT (0.64) MAPTLMNAHTTKMT2AHSP90AA1
SCHEMBL7339228 0.96 MAPT (0.64) MAPTLMNAHTTKMT2AHSP90AA1
SCHEMBL7337735 0.96 MAPT (0.64) MAPTLMNAHTTKMT2AHSP90AA1
SCHEMBL6539579 0.96 MAPT (0.64) MAPTLMNAHTTKMT2AHSP90AA1
SCHEMBL7316188 0.93 RARB (0.62) MAPTLMNAHTTKMT2AHSP90AA1
SCHEMBL7937774 0.92 MAPT (0.82) MAPTKMT2ARAB9AMMP1SMN1; SMN2
SCHEMBL7325818 0.92 RARB (0.64) MAPTLMNAHTTKMT2AHSP90AA1
SCHEMBL7317829 0.92 RARB (0.64) MAPTLMNAHTTKMT2AHSP90AA1
SCHEMBL7338304 0.90 MAPT (0.64) MAPTLMNAHTTKMT2AHSP90AA1

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 3196/4885LMNA 3615/4885HTT 1979/4885

“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.