SCHEMBL909516

SCHEMBL909516

CCn1cc([N+](=O)[O-])c(C(=O)O)n1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.41
TP53 P04637 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
SCHEMBL18131163 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18359320 0.86 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL12725093 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7515726 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28546945 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18131247 0.81 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1559275 0.80 L3MBTL1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL326566 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18131893 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18131196 0.79 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016164754-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-13 WO disclosed
US-8426588-B2 Phenylalanine derivatives AJINOMOTO CO, INC. (JP) 2013-04-23 US disclosed
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2012-10-04 US disclosed
US-8222405-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2012-07-17 US disclosed
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-03-17 US disclosed
EP-1288205-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2011-02-02 EP disclosed
US-7872125-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2011-01-18 US disclosed
EP-1477482-B1 NOVEL PHENYLALANINE DERIVATIVE AJINOMOTO KK (JP) 2010-04-14 EP disclosed
US-7605165-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2009-10-20 US disclosed
CN-1325480-C Novel phenylalanine derivatives AJINOMOTO KK (JP) 2007-07-11 CN disclosed
WO-2007013964-A1 PYRAZOLO PYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2007-02-01 WO disclosed
US-7153963-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2006-12-26 US disclosed
US-20060223836-A1 New phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2006-10-05 US disclosed
US-20050101779-A1 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-05-12 US disclosed
EP-1477482-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-11-17 EP disclosed
CN-1469867-A Novel phenylalanine derivatives ֮����ʽ���� 2004-01-21 CN disclosed
US-20030220268-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 US disclosed
EP-1288205-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-03-05 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 (5 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-20060223836-A1 New phenylalanine derivatives ITGB4, ITGA4, ITGAV ALDH1A1 1310/4885SMN1; SMN2 1306/4885NPC1 2533/4885
US-20050101779-A1 Phenylalanine derivatives ITGB4, ITGA4, ITGB3 ALDH1A1 987/4885SMN1; SMN2 1611/4885NPC1 1178/4885
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ALDH1A1 1310/4885SMN1; SMN2 1306/4885NPC1 2533/4885
US-20030220268-A1 New phenylalanine derivatives ITGB4, ITGA4, ITGB3 ALDH1A1 1237/4885SMN1; SMN2 684/4885NPC1 1766/4885
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ALDH1A1 1310/4885SMN1; SMN2 1306/4885NPC1 2533/4885

“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.