SCHEMBL1301604

SCHEMBL1301604

CCOC(=O)CC(=O)c1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 8/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7010910 0.88 ALDH1A1 (0.46) LMNAALDH1A1SMN1; SMN2POLBGALR2
SCHEMBL3064007 0.84 LMNA (0.53) LMNAALDH1A1SMN1; SMN2POLBGALR2
SCHEMBL25282500 0.84 GAA (0.46) LMNAALDH1A1SMN1; SMN2POLBGALR2
SCHEMBL1241168 0.84 GAA (0.49) LMNAALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL1003801 0.82 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2POLBGALR2
SCHEMBL7010043 0.82 LMNA (0.43) LMNAALDH1A1SMN1; SMN2POLBGALR2
SCHEMBL16063534 0.82 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2POLBGALR2
SCHEMBL30483100 0.82 GUSB (0.49) LMNAALDH1A1SMN1; SMN2POLBGALR2
SCHEMBL10423012 0.82 MAPT (0.47) LMNAALDH1A1SMN1; SMN2POLBGALR2
SCHEMBL9860199 0.82 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2POLBGALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP LMNA 1312/4885ALDH1A1 1976/4885SMN1; SMN2 3583/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP LMNA 1312/4885ALDH1A1 1976/4885SMN1; SMN2 3583/4885

“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.