SCHEMBL5511468

SCHEMBL5511468

O=[N+]([O-])c1ccc(-c2ccc(Cl)cc2)c(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
NPBWR1 P48145 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MCL1 Q07820 2/20 0.43
PKM P14618 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
SCHEMBL28626894 0.90 PTGS2 (0.48) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL3825987 0.86 MAPT (0.44) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL3737498 0.85 CYP1A2 (0.55) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL29449526 0.85 PTPRC (0.52) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL679942 0.85 PTPRC (0.52) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL28088417 0.84 POLB (0.59) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL791517 0.82 CYP19A1 (0.44) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL17629951 0.81 LMNA (0.46) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL9733977 0.80 HSD17B10 (0.58) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL7717915 0.78 PTGS2 (0.53) MAPTRAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C MAPT 3967/4885RAB9A 2090/4885MEN1 4842/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MAPT 3203/4885RAB9A 1468/4885MEN1 4760/4885

“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.