SCHEMBL14200093

SCHEMBL14200093

CC(C)(C)c1cc([N+](=O)[O-])ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
GALR3 O60755 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 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
SCHEMBL13194999 0.83 KMT2A (0.44) ALDH1A1SMN1; SMN2L3MBTL1MAPTTSHR
SCHEMBL3714506 0.81 LOXL2 (0.44) ALDH1A1MAPTTSHRLMNAKMT2A
SCHEMBL30001446 0.80 KMT2A (0.40) ALDH1A1SMN1; SMN2L3MBTL1MAPTKMT2A
SCHEMBL29187019 0.80 KMT2A (0.40) ALDH1A1SMN1; SMN2L3MBTL1MAPTKMT2A
Tert-Butylamine SCHEMBL27701396 0.75 TDP1 (0.44) ALDH1A1TSHRLMNAKMT2AHTT
SCHEMBL2144876 0.75 TSHR (0.50) ALDH1A1SMN1; SMN2MAPTTSHRLMNA
SCHEMBL826630 0.74 TSHR (0.50) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL12213081 0.73 CYP2C19 (0.63) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL28720537 0.72 TSHR (0.48) ALDH1A1MAPTTSHRLMNAGAA
SCHEMBL10220749 0.72 MAPT (0.35) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA

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
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-9907854-B2 Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof CellMosaic, Inc. (US) 2018-03-06 US disclosed
US-20170065726-A1 NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF CELLMOSAIC INC (US) 2017-03-09 US disclosed
US-20170065726-A1 NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF CELLMOSAIC INC (US) 2017-03-09 US disclosed
US-9511150-B2 Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof CellMosaic, Inc. (US) 2016-12-06 US disclosed
US-8907079-B2 Crosslinking reagents, macromolecules, therapeutic conjugates, and synthetic methods thereof CELLMOSAIC INC. (US) 2014-12-09 US disclosed
US-20140206903-A1 NOVELCROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC CONJUGATES, AND SYNTHETIC METHODS THEREOF CELLMOSAIC INC (US) 2014-07-24 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20170065726-A1 NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF CD44, ADH1C, EPCAM ALDH1A1 161/4885SMN1; SMN2 2273/4885L3MBTL1 2520/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 ALDH1A1 1908/4885SMN1; SMN2 3406/4885L3MBTL1 1469/4885
US-20140206903-A1 NOVELCROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC CONJUGATES, AND SYNTHETIC METHODS THEREOF CD44, ADH1C, EPCAM ALDH1A1 106/4885SMN1; SMN2 1789/4885L3MBTL1 2862/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885SMN1; SMN2 3927/4885L3MBTL1 3585/4885

“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.