SCHEMBL9690922

SCHEMBL9690922

COc1ccc(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
MAPK1 P28482 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 6/20 0.56
PKM P14618 2/20 0.56
HSP90AA1 P07900 2/20 0.56
CCR6 P51684 2/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NLRP1 Q9C000 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RECQL P46063 1/20 0.50
POLB P06746 1/20 0.50
MGLL Q99685 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 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
SCHEMBL11648461 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1SMN1; SMN2MAPTPKM
SCHEMBL9688710 0.80 ALDH1A1 (0.66) ALDH1A1MAPTPKMHSP90AA1CCR6
SCHEMBL29510567 0.80 ALDH1A1 (0.66) ALDH1A1MAPTPKMHSP90AA1CCR6
SCHEMBL14656749 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1SMN1; SMN2MAPTPKM
SCHEMBL10586556 0.78 CCR6 (0.60) ALDH1A1MAPK1SMN1; SMN2MAPTPKM
SCHEMBL11830513 0.77 ALDH1A1 (0.64) ALDH1A1MAPK1SMN1; SMN2MAPTHSP90AA1
SCHEMBL11647855 0.76 ALDH1A1 (0.58) ALDH1A1MAPK1SMN1; SMN2MAPTPKM
SCHEMBL14656816 0.76 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTPKMHSP90AA1
SCHEMBL14430145 0.76 SMN1; SMN2 (0.61) ALDH1A1MAPK1SMN1; SMN2MAPTPKM
SCHEMBL14656898 0.76 G6PD (0.70) ALDH1A1MAPK1SMN1; SMN2MAPTPKM

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-20130025495-A1 COMPOSITIONS COMPRISING A REACTIVE MONOMER AND USES THEREOF ISP INVESTMENTS INC. (US) 2013-01-31 US disclosed
EP-0508800-A1 New Herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1992-10-14 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 (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-20130025495-A1 COMPOSITIONS COMPRISING A REACTIVE MONOMER AND USES THEREOF MEP1A, MACF1, CYP1B1 ALDH1A1 34/4885MAPK1 679/4885SMN1; SMN2 2177/4885

“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.