SCHEMBL3317735

SCHEMBL3317735

CC(C)(C)[C@H](N)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
TDP1 Q9NUW8 3/20 0.64
KDM4E B2RXH2 2/20 0.64
HTT P42858 2/20 0.64
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
POLB P06746 2/20 0.57
MAPT P10636 2/20 0.57
FABP1 P07148 1/20 0.56
FABP6 P51161 1/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 2/20 0.55
FAAH O00519 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL13417633 0.86 ALDH1A1 (0.76) ALDH1A1TDP1KDM4EHTTKMT2A
SCHEMBL17152263 0.83 ALDH1A1 (0.69) ALDH1A1TDP1KDM4EHTTKMT2A
SCHEMBL1064531 0.80 ALDH1A1 (0.71) ALDH1A1TDP1KDM4EHTTKMT2A
SCHEMBL27663681 0.80 ALDH1A1 (0.70) ALDH1A1TDP1KDM4EHTTKMT2A
SCHEMBL5745427 0.80 FAAH (0.53) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL5745429 0.80 FAAH (0.53) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL13333339 0.80 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL3321524 0.80 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL3595243 0.79 ALDH1A1 (0.63) ALDH1A1TDP1KDM4EHTTKMT2A
SCHEMBL2853078 0.79 KMT2A (0.70) ALDH1A1TDP1KDM4EHTTKMT2A

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
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed
EP-1202968-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-05-08 EP disclosed
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 WO disclosed
WO-2001010834-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 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 (2 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 ALDH1A1 2137/4885TDP1 4610/4885KDM4E 4373/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 ALDH1A1 2288/4885TDP1 4606/4885KDM4E 4371/4885

“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.