SCHEMBL10071783

SCHEMBL10071783

O=NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
LMNA P02545 2/20 0.59
ALDH1A1 P00352 4/20 0.55
ALOX15 P16050 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ACHE P22303 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
PYCR1 P32322 1/20 0.49
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL10918542 0.82 TSHR (0.71) TSHRLMNAALDH1A1ALOX15CYP1A2
SCHEMBL1491377 0.80 TSHR (0.59) TSHRLMNAALDH1A1ALOX15CYP1A2
SCHEMBL94845 0.80 TSHR (0.69) TSHRLMNAALDH1A1ALOX15CYP1A2
SCHEMBL8713184 0.80 TSHR (0.69) TSHRLMNAALDH1A1ALOX15CYP1A2
SCHEMBL13983018 0.79 TSHR (0.57) TSHRLMNAALDH1A1CYP1A2CYP2D6
SCHEMBL5261537 0.79 TSHR (0.57) TSHRLMNAALDH1A1ALOX15CYP1A2
SCHEMBL17230076 0.79 GRIN2B (0.48) TSHRLMNAALDH1A1CYP1A2CYP2D6
SCHEMBL189560 0.78 TSHR (0.67) TSHRLMNAALDH1A1ALOX15CYP1A2
SCHEMBL356063 0.78 TSHR (1.00) TSHRLMNAALDH1A1ALOX15CYP1A2
SCHEMBL8245788 0.78 TSHR (0.67) TSHRLMNAALDH1A1ALOX15CYP1A2

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-8945515-B2 Methods and compositions for altering photophysical properties of fluorophores via proximal quenching CORNELL UNIVERSITY (US) 2015-02-03 US disclosed
US-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2012-02-02 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 (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-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, PPOX, PRDX5 TSHR 4483/4885LMNA 88/4885ALDH1A1 525/4885

“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.