SCHEMBL2056817

SCHEMBL2056817

Nc1cccc(N)c1C[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CA9 Q16790 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDE7A Q13946 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CYP3A4 P08684 5/20 0.35
TSHR P16473 4/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL1219009 0.76 MAPT (0.40) TDP1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL9319797 0.73 TDP1 (0.54) TDP1ALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL28475727 0.73 MAPT (0.38) TDP1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL31474641 0.73 TDP1 (0.52) TDP1ALDH1A1NPSR1CA9SMN1; SMN2
SCHEMBL6741088 0.71 SMN1; SMN2 (0.47) TDP1ALDH1A1MAPTSMN1; SMN2PDE7A
SCHEMBL3599344 0.71 SMN1; SMN2 (0.47) TDP1ALDH1A1MAPTSMN1; SMN2PDE7A
SCHEMBL1374438 0.70 GPR35 (0.48) TDP1ALDH1A1MAPTSMN1; SMN2PDE7A
SCHEMBL1668133 0.70 TDP1 (0.48) TDP1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL11032366 0.70 TSHR (0.52) TDP1ALDH1A1MAPTSMN1; SMN2PDE7A
SCHEMBL6737148 0.70 SMN1; SMN2 (0.46) TDP1ALDH1A1MAPTSMN1; SMN2PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052537-A1 NITRO-BASED EXPLOSIVE REMEDIATION STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY 2011-03-03 US disclosed
WO-2009026184-A1 NITRO-BASED EXPLOSIVE REMEDIATION STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2009-02-26 WO 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 (1 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-20110052537-A1 NITRO-BASED EXPLOSIVE REMEDIATION TET1, ALKBH1, NQO1 TDP1 776/4885ALDH1A1 127/4885MAPT 3674/4885

“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.