SCHEMBL3044366

SCHEMBL3044366

O=C(Nc1cc(Cl)c(O)c(Cl)c1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
MAPT P10636 4/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL3048489 0.83 ALDH1A1 (0.57) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL3040887 0.81 MGLL (0.59) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL10490780 0.80 KMT2A (0.59) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL11229638 0.80 HTT (0.50) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL3044373 0.80 POLB (0.57) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL94347 0.78 ALDH1A1 (0.55) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL11183813 0.78 ALDH1A1 (0.52) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL2299040 0.78 IDO1 (0.58) HTTMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL87044 0.78 POLB (0.61) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL8867503 0.77 ALDH1A1 (0.54) HTTMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-05-12 US disclosed
EP-0958280-B1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6838470-B2 Arylpiperidinopropanol and arylpiprazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-04 US disclosed
EP-1138678-B1 Process for making N-((4-phenyl) methylphenyl) piperazines DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-12-22 EP disclosed
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-12-25 US disclosed
US-6525199-B1 Ring coupling, reduction and deprotecting; synthesis of compounds for alleviation and treatment of symptoms due to ischemic diseases SUNTORY LIMITED (JP) 2003-02-25 US disclosed
US-6407099-B1 SUPPRESSING CYTOTOXIC CALCIUM OVERLOAD AND LIPID PEROXIDATION; ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIEDEMIC AGENTS; BRAIN, NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 2002-06-18 US disclosed
EP-1138678-A2 Process for making N-((4-phenyl) methylphenyl) piperazines SUNTORY LIMITED (JP) 2001-10-04 EP disclosed
EP-0958280-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-11-24 EP disclosed
WO-1999023072-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-05-14 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 (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-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, APOL1 HTT 1448/4885MAPT 3808/4885THRB 942/4885
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, NR3C2 HTT 1369/4885MAPT 4246/4885THRB 417/4885

“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.