SCHEMBL5445136

SCHEMBL5445136

NCc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.64
ERN1 O75460 1/20 0.51
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.43
CTSD P07339 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5496520 0.86 GPR35 (0.60) GPR35ERN1ALDH1A1TSHRTDP1
SCHEMBL11306648 0.85 GPR35 (0.69) GPR35ERN1ALDH1A1TSHRTDP1
SCHEMBL27671751 0.83 GPR35 (0.67) GPR35ERN1ALDH1A1TSHRTDP1
SCHEMBL4854222 0.83 GPR35 (0.67) GPR35ERN1ALDH1A1TSHRTDP1
SCHEMBL8644415 0.81 ALDH1A1 (0.67) GPR35ERN1ALDH1A1TSHRTDP1
SCHEMBL249952 0.80 ALDH1A1 (0.64) ALDH1A1TSHRTDP1L3MBTL1HPGD
SCHEMBL1077970 0.80 GPR35 (1.00) GPR35ERN1ALDH1A1TSHRTDP1
SCHEMBL14907881 0.79 ALDH1A1 (0.53) GPR35ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL8329812 0.79 ALDH1A1 (0.48) GPR35ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL3953258 0.79 GPR35 (0.60) GPR35ERN1ALDH1A1TSHRTDP1

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-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US claimed
US-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 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-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GPR119, ABCC1, INSR GPR35 1166/4885ERN1 2860/4885ALDH1A1 177/4885

“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.