SCHEMBL7999903

SCHEMBL7999903

COc1cccc([N+](=O)[O-])c1C=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 5/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
PRKDC P78527 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
AR P10275 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL19457046 0.85 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL7416930 0.83 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL29394371 0.82 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL22589779 0.82 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL272154 0.81 ERN1 (0.57) ALDH1A1TDP1MAPTHSD17B10SMN1; SMN2
SCHEMBL7995969 0.80 ALDH1A1 (0.54) ALDH1A1TDP1L3MBTL1MAPTHPGD
SCHEMBL7995971 0.80 ALDH1A1 (0.54) ALDH1A1TDP1L3MBTL1MAPTHPGD
SCHEMBL10645648 0.79 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL170690 0.79 ERN1 (0.55) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL215837 0.79 TDP1 (0.67) ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384751-B2 Allosteric activators of the ALPHA1A-adrenergic receptor THE CLEVELAND CLINIC FOUNDATION (US) 2025-08-12 US disclosed
EP-3958851-B1 ALLOSTERIC ACTIVATORS OF THE ALPHA IA-ADRENERGIC RECEPTOR CLEVELAND CLINIC FOUND (US) 2024-08-14 EP disclosed
US-20220227717-A1 ALLOSTERIC ACTIVATORS OF THE ALPHA1A-ADRENERGIC RECEPTOR THE CLEVELAND CLINIC FOUNDATION 2022-07-21 US disclosed
EP-3958851-A1 ALLOSTERIC ACTIVATORS OF THE ALPHA IA-ADRENERGIC RECEPTOR The Cleveland Clinic Foundation (US) 2022-03-02 EP disclosed
WO-2020219720-A1 ALLOSTERIC ACTIVATORS OF THE ALPHA1A -ADRENERGIC RECEPTOR THE CLEVELAND CLINIC FOUNDATION (US) 2020-10-29 WO disclosed
WO-2001044185-A1 CARBON MONOXIDE-BASED SYNTHESIS OF SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 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 (2 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-12384751-B2 Allosteric activators of the ALPHA1A-adrenergic receptor ADRA1A, ADRB1, ADRA1D ALDH1A1 145/4885TDP1 987/4885L3MBTL1 1740/4885
US-20220227717-A1 ALLOSTERIC ACTIVATORS OF THE ALPHA1A-ADRENERGIC RECEPTOR ADRA1A, ADRB1, ADRA1D ALDH1A1 145/4885TDP1 987/4885L3MBTL1 1740/4885

“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.