SCHEMBL7166135

SCHEMBL7166135

COc1ccc(Nc2ccccc2CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.69
AKR1C2 P52895 5/20 0.69
MAPT P10636 6/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
MAPK1 P28482 2/20 0.59
AKR1B10 O60218 2/20 0.57
AKR1B1 P15121 2/20 0.57
AKR1C4 P17516 2/20 0.57
AKR1C1 Q04828 2/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 2/20 0.55

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
SCHEMBL7165979 0.89 PKM (0.63) AKR1C3AKR1C2MAPTRAB9ASMN1; SMN2
SCHEMBL7160777 0.83 CAMK2A (0.55) AKR1C3AKR1C2MAPTSMN1; SMN2MAPK1
SCHEMBL7164948 0.82 CXCL8 (0.59) AKR1C3AKR1C2MAPTRAB9ASMN1; SMN2
SCHEMBL341539 0.81 FABP3 (0.59) AKR1C3AKR1C2MAPTSMN1; SMN2AKR1B10
SCHEMBL2436193 0.80 CYP1A2 (0.63) AKR1C3AKR1C2MAPTRAB9ASMN1; SMN2
SCHEMBL4014665 0.80 CYP1A2 (0.63) AKR1C3AKR1C2MAPTRAB9ASMN1; SMN2
SCHEMBL7164914 0.79 GAA (0.64) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6179431 0.79 AKR1C3 (0.74) AKR1C3AKR1C2MAPTRAB9ASMN1; SMN2
SCHEMBL7164974 0.78 CXCL8 (0.70) AKR1C3AKR1C2MAPK1AKR1B10KMT2A
SCHEMBL9094091 0.77 AKR1C3 (0.82) AKR1C3AKR1C2MAPTRAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552077-B2 Kidney disorders EXOCELL, INC. 2003-04-22 US disclosed
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
US-6355680-B1 BLOCKING REACTION OF GLUCOSE AND ALBUMIN EXOCELL, INC. 2002-03-12 US disclosed
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies EXOCELL, INC. 2001-10-25 US disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 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-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies ALB, AGER, TTR AKR1C3 1185/4885AKR1C2 1104/4885MAPT 592/4885

“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.