SCHEMBL503400

SCHEMBL503400

C[C@H](Nn1nc2ccc(C(=O)O)cc2n1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
HCAR3 P49019 11/20 0.43
HPGD P15428 3/20 0.43
HCAR2 Q8TDS4 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSP90AA1 P07900 1/20 0.37
ESR2 Q92731 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL7588376 1.00 TDP1 (0.44) TDP1HCAR3HPGDHCAR2RAB9A
SCHEMBL5827487 0.81 KDM4E (0.42) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL7173837 0.81 KDM4E (0.42) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL5828526 0.73 HCAR3 (0.50) HCAR3HPGDHCAR2
SCHEMBL5828225 0.73 HCAR3 (0.60) HCAR3HPGDHCAR2
SCHEMBL14478264 0.71 NPC1 (0.44) TDP1HCAR3HPGDHCAR2RAB9A
SCHEMBL503399 0.68 NPC1 (0.41) TDP1HCAR3HPGDRAB9ANPC1
SCHEMBL11562828 0.67 MAPT (0.58) TDP1HPGDRAB9ANPC1MEN1
SCHEMBL11562276 0.65 TDP1 (0.47) TDP1HPGDRAB9ANPC1MEN1
SCHEMBL2401376 0.65 MYC (0.51) TDP1HCAR3HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015331-B2 Non-proteinogenic L-amino acids Consortium für elektrochemische Industrie GmbH (DE) 2006-03-21 US claimed
US-20050222426-A1 Non-proteinogenic L-amino acids CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-10-06 US claimed
US-20040197879-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2004-10-07 US claimed
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2002-04-04 US claimed
EP-1191106-A1 Verfahren zur fermentativen Herstellung von nicht-proteinogenen L-Aminosäuren Consortium für elektrochemische Industrie GmbH (DE) 2002-03-27 EP claimed
US-8445678-B2 2-quinoxalinol salen compounds and uses thereof AUBURN UNIVERSITY (US) 2013-05-21 US disclosed
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF AUBURN UNIVERSITY (US) 2012-02-02 US disclosed
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 US disclosed
US-7015331-B2 Non-proteinogenic L-amino acids Consortium für elektrochemische Industrie GmbH (DE) 2006-03-21 US disclosed
US-20050222426-A1 Non-proteinogenic L-amino acids CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-10-06 US disclosed
US-6939967-B2 Non-proteinogenic L-amino acids Consortium für elektrochemische Industrie GmbH (DE) 2005-09-06 US disclosed
US-20040197879-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2004-10-07 US disclosed
US-6756216-B2 BATCH PROCESSING USING NUCLEOPHILIC COMPOUND Consortium für elektrochemische Industrie GmbH (DE) 2004-06-29 US disclosed
EP-1191106-B1 Process for the fermentative preparation of non-proteinogenic L-amino acids CONSORTIUM ELEKTROCHEM IND (DE) 2004-04-28 EP disclosed
US-6579705-B2 Generating preferential amino acid sequences; obtain adjusted amino acid, incubate with enzyme, recover amino acid CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2003-06-17 US disclosed
US-20020177196-A1 Process for preparing non-proteinogenic L-amino acids CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2002-11-28 US disclosed
EP-1247869-A1 Process for the production of non-proteinogenic amino acids Consortium für elektrochemische Industrie GmbH (DE) 2002-10-09 EP disclosed
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2002-04-04 US disclosed
EP-1191106-A1 Verfahren zur fermentativen Herstellung von nicht-proteinogenen L-Aminosäuren Consortium für elektrochemische Industrie GmbH (DE) 2002-03-27 EP 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 (4 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-20050222426-A1 Non-proteinogenic L-amino acids BCAT2, BCAT1, CBS TDP1 4207/4885HCAR3 3857/4885HPGD 1041/4885
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CBS, BCAT2, BCAT1 TDP1 4425/4885HCAR3 4197/4885HPGD 979/4885
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof NQO1, NQO2, SQOR TDP1 2894/4885HCAR3 2250/4885HPGD 143/4885
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF NQO1, NQO2, SQOR TDP1 2894/4885HCAR3 2250/4885HPGD 143/4885

“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.