SCHEMBL6157822

SCHEMBL6157822

O=[N+]([O-])c1cc(CCl)ccc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.56
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALB P02768 1/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPSE Q9Y251 1/20 0.52
PDE7A Q13946 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HSPB1 P04792 2/20 0.47
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HTR6 P50406 1/20 0.42
PTPN1 P18031 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7008259 0.88 MEN1 (0.55) TTRMEN1KMT2APDE7ASMN1; SMN2
SCHEMBL18121897 0.88 TTR (0.56) TTRMEN1KMT2AALBTHRB
SCHEMBL28735953 0.85 HPSE (0.52) TTRMEN1KMT2AALBTHRB
SCHEMBL14468221 0.85 HPSE (0.52) TTRMEN1KMT2AALBTHRB
SCHEMBL10855250 0.82 HPGD (0.55) TTRMEN1KMT2AALBTHRB
SCHEMBL13718991 0.82 HPSE (0.52) TTRMEN1KMT2AALBTHRB
SCHEMBL10409125 0.81 POLB (0.56) MEN1KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL2020498 0.80 PDE7A (0.73) TTRMEN1KMT2AALBTHRB
SCHEMBL31090820 0.80 PDE7A (0.73) TTRMEN1KMT2AALBTHRB
SCHEMBL7813399 0.78 MEN1 (0.72) TTRMEN1KMT2AALBTHRB

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
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 TTR 461/4885MEN1 3957/4885KMT2A 1898/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 TTR 549/4885MEN1 3906/4885KMT2A 1850/4885

“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.