SCHEMBL1158052

SCHEMBL1158052

C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
MAPT P10636 5/20 0.62
KDM4E B2RXH2 2/20 0.62
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 3/20 0.55
NPSR1 Q6W5P4 2/20 0.50
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
LMNA P02545 2/20 0.47
ALPG P10696 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
PDE7A Q13946 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL1158053 1.00 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11756343 0.86 MAPT (0.60) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10970028 0.85 MAPT (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7336052 0.82 MAPT (0.70) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7540298 0.79 MAPT (0.81) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1158293 0.78 MAPT (0.71) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6086577 0.78 MAPT (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6086572 0.78 MAPT (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1158294 0.78 MAPT (0.71) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8941930 0.77 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227627-B2 Prodrugs of tetrahydrocannabinol, compositions comprising prodrugs of tetrahydrocannabinol and methods of using the same ALLTRANZ INC. (US) 2012-07-24 US disclosed
US-7888417-B2 core or the layer includes a composition formed from a base polymer, a crosslink initiator, and at least one additive; additive has at least one carbon-oxygen-boron linkage, carbon in the linkage being a secondary or tertiary carbon; enhances coefficient of restitution and/or reduces compression of core ACUSHNET COMPANY (US) 2011-02-15 US disclosed
US-20090143462-A1 Products of Tetrahydrocannabinol, Compositions Comprising Prodrugs of Tetrahydrocannabinol and Methods of Using the Same ALLTRANZ (US) 2009-06-04 US disclosed
US-20080261722-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY 2008-10-23 US disclosed
US-20080227567-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY 2008-09-18 US disclosed
US-20080176678-A1 Compositions for Use in Golf Balls ACUSHNET COMPANY 2008-07-24 US disclosed
US-7361711-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2008-04-22 US disclosed
US-7358310-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2008-04-15 US disclosed
US-7358309-B2 core or the layer includes a composition formed from a base polymer, a crosslink initiator, and at least one additive; additive has at least one carbon-oxygen-boron linkage, carbon in the linkage being a secondary or tertiary carbon; enhances coefficient of restitution and/or reduces compression of core ACUSHNET COMPANY (US) 2008-04-15 US disclosed
US-7358308-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2008-04-15 US disclosed
US-20060281586-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-12-14 US disclosed
US-20060281587-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-12-14 US disclosed
US-20050245652-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-03 US disclosed
US-20050245657-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-03 US disclosed
US-4079021-A Polymeric carrier for a controlled synthesis of peptides CESKOSLOVENSKA AKADEMIE VED (CS) 1978-03-14 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 (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-20090143462-A1 Products of Tetrahydrocannabinol, Compositions Comprising Prodrugs of Tetrahydrocannabinol and Methods of Using the Same CNR2, CNR1, FAAH ALDH1A1 2452/4885MAPT 706/4885KDM4E 1685/4885

“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.