SCHEMBL7207192

SCHEMBL7207192

CC(C)(C)NC(=O)c1ccc2c(c1)COC2=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 4/20 0.54
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
MAPT P10636 3/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
S100B P04271 1/20 0.45
ROCK2 O75116 1/20 0.45
NR3C1 P04150 2/20 0.45
PGR P06401 2/20 0.45
IMPDH2 P12268 2/20 0.45
NR3C2 P08235 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL3826223 0.87 NPC1 (0.60) PRF1NPC1ALDH1A1MAPTHSD17B10
SCHEMBL7636169 0.84 PRF1 (0.68) PRF1NPC1ALDH1A1MAPTHSD17B10
SCHEMBL3939499 0.82 NPC1 (0.58) PRF1NPC1ALDH1A1MAPTHSD17B10
SCHEMBL7970252 0.80 NPC1 (0.53) PRF1NPC1ALDH1A1MAPTHSD17B10
SCHEMBL7979559 0.80 ROCK2 (0.54) PRF1NPC1ALDH1A1MAPTHSD17B10
SCHEMBL1466724 0.79 MAPT (0.58) PRF1NPC1ALDH1A1MAPTHSD17B10
SCHEMBL3029409 0.78 MAPT (0.55) PRF1NPC1ALDH1A1MAPTHSD17B10
SCHEMBL7780577 0.77 PRF1 (0.51) PRF1NPC1ALDH1A1MAPTHSD17B10
SCHEMBL12634064 0.77 NPC1 (0.50) PRF1NPC1ALDH1A1MAPTHSD17B10
SCHEMBL1407977 0.77 MAPT (0.56) PRF1NPC1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 US disclosed
EP-1140886-B1 METHOD FOR THE PREPARATION OF 5-CYANOPHTHALIDE LUNDBECK & CO AS H (DK) 2003-04-02 EP disclosed
US-6392060-B2 DEHYRATION OF THE CORRESPONDING 5-CARBOXYPHTHALIDE H. LUNDBECK A/S (DK) 2002-05-21 US disclosed
US-6392060-B1 2002-05-21 US disclosed
US-20020019546-A1 Method for the preparation of 5-cyanophthalide H. LUNDBECK A/S (DK) 2002-02-14 US disclosed
EP-1140886-A1 METHOD FOR THE PREPARATION OF 5-CYANOPHTHALIDE H. LUNDBECK A/S (DK) 2001-10-10 EP disclosed
EP-1015416-B1 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2001-09-19 EP disclosed
US-6229026-B1 REACTING AN ISOBENZOFURAN DERIVATIVE WITH GRIGNARD REAGENTS 4-HALOGEN-FLUOROPHENYL AND 3-HALOGEN-N,N-DIMETHYLPROPYLAMINE; CAUSING RING-CLOSURE OF THE PRODUCT AND CONVERSION TO 5-CYANO DERIVATIVE H. LUNDBECK, A/S (DK) 2001-05-08 US disclosed
WO-2000039112-A1 METHOD FOR THE PREPARATION OF 5-CYANOPHTHALIDE H. LUNDBECK A/S (DK) 2000-07-06 WO disclosed
EP-1015416-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-07-05 EP disclosed
WO-1998019513-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 1998-05-14 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 (3 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 PRF1 4335/4885NPC1 3291/4885ALDH1A1 2016/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 PRF1 4221/4885NPC1 3258/4885ALDH1A1 2382/4885
US-20020019546-A1 Method for the preparation of 5-cyanophthalide SLC6A4, TPH1, CPS1 PRF1 3419/4885NPC1 1549/4885ALDH1A1 1037/4885

“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.