SCHEMBL6380799

SCHEMBL6380799

CNC(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
HTR2B P41595 2/20 0.39
HTR7 P34969 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
EPHX1 P07099 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL6502789 0.90 PNMT (0.54) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL31633620 0.89 PNMT (0.53) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL27703872 0.88 PNMT (0.51) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL6380791 0.86 PNMT (0.50) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL3059776 0.86 PNMT (0.54) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL6374768 0.86 PNMT (0.47) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL6375574 0.85 PNMT (0.46) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL4059189 0.85 PNMT (0.54) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL8473291 0.85 PNMT (0.54) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL1830397 0.84 PNMT (0.57) PNMTRAB9ANPC1HTR2BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
CN-106589111-B Synthetic method of bremer langdan 江苏开元医药化工有限公司 2020-12-29 CN disclosed
US-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 PNMT 3338/4885RAB9A 2517/4885NPC1 705/4885

“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.