SCHEMBL5233148

SCHEMBL5233148

CCOc1cc([N+](=O)[O-])cc(OCC)c1OCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 3/20 0.45
HTT P42858 3/20 0.44
NPC1 O15118 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE7A Q13946 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
CYP19A1 P11511 1/20 0.40

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
SCHEMBL7513156 0.89 HTT (0.50) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL27717146 0.85 ERN1 (0.52) MAPTKMT2AMEN1TSHRALDH1A1
SCHEMBL8144438 0.85 MEN1 (0.55) MAPTKMT2AMEN1ALDH1A1CYP19A1
SCHEMBL31362158 0.84 TDP1 (0.44) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7933244 0.83 MAPT (0.48) MAPTKMT2AMEN1TSHRALDH1A1
SCHEMBL7933249 0.83 POLB (0.56) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL304765 0.81 TDP1 (0.49) MAPTKMT2AMEN1TSHRALDH1A1
SCHEMBL6986698 0.81 ALDH1A1 (0.47) MAPTKMT2AMEN1TSHRALDH1A1
SCHEMBL14118062 0.80 CYP19A1 (0.49) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4238772 0.79 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 US disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 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 (2 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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH MAPT 4297/4885KMT2A 933/4885MEN1 460/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 MAPT 3926/4885KMT2A 822/4885MEN1 1195/4885

“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.