SCHEMBL1101028

SCHEMBL1101028

CC(CC(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HPGD P15428 1/20 0.57
POLB P06746 1/20 0.56
ACP3 P15309 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP26A1 O43174 1/20 0.49
TP53 P04637 1/20 0.49
KMO O15229 1/20 0.48
ALDH1A1 P00352 1/20 0.47
FFAR1 O14842 1/20 0.47
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL21200270 1.00 MEN1 (0.57) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL21200078 0.87 MEN1 (0.56) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL21200076 0.87 MEN1 (0.56) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL27571912 0.85 L3MBTL1 (0.54) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL16933041 0.84 ACP3 (0.54) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL21199799 0.83 KMT2A (0.55) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL21199796 0.83 KMT2A (0.55) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL27579047 0.83 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL2878386 0.83 L3MBTL1 (0.61) MEN1KMT2AL3MBTL1HPGDACP3
SCHEMBL21200551 0.83 L3MBTL1 (0.61) MEN1KMT2AL3MBTL1HPGDACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. 2022-10-13 US disclosed
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-8153410-B2 Alternate morpheein forms of allosteric proteins as a target for the development of bioactive molecules FOX CHASE CANCER CENTER (US) 2012-04-10 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES FOX CHASE CANCER CENTER (US) 2009-02-19 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 (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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT MEN1 2052/4885KMT2A 597/4885L3MBTL1 1178/4885
US-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES BMP2, BMP1, MYOF MEN1 1437/4885KMT2A 4620/4885L3MBTL1 3729/4885
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF CBLB, CBL, CBLC MEN1 4135/4885KMT2A 1276/4885L3MBTL1 220/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT MEN1 2267/4885KMT2A 660/4885L3MBTL1 729/4885

“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.