SCHEMBL6468043

SCHEMBL6468043

O=[N+]([O-])c1cc[c]c([Hg]Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 8/20 0.40
TDP1 Q9NUW8 4/20 0.40
CYP3A4 P08684 2/20 0.39
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
PTPRC P08575 1/20 0.36
S100A4 P26447 1/20 0.36
ACHE P22303 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL455697 0.79 ALDH1A1 (0.50) TSHRLMNAHSD17B10ALDH1A1TDP1
SCHEMBL57963 0.75 HSD17B10 (0.50) TSHRLMNAHSD17B10ALDH1A1TDP1
SCHEMBL26325 0.72 TSHR (0.48) TSHRLMNAHSD17B10ALDH1A1TDP1
SCHEMBL887743 0.71 TSHR (0.48) TSHRLMNAHSD17B10ALDH1A1TDP1
SCHEMBL1473759 0.71 ALDH1A1 (0.47) TSHRLMNAHSD17B10ALDH1A1TDP1
Water SCHEMBL28995322 0.71 TSHR (0.46) TSHRLMNAHSD17B10ALDH1A1TDP1
SCHEMBL16005234 0.71 TSHR (0.46) TSHRLMNAHSD17B10ALDH1A1TDP1
SCHEMBL146835 0.71 ALDH1A1 (0.47) TSHRLMNAHSD17B10ALDH1A1TDP1
SCHEMBL3591508 0.71 ALDH1A1 (0.48) TSHRLMNAHSD17B10ALDH1A1TDP1
SCHEMBL10383515 0.71 TSHR (0.46) TSHRLMNAHSD17B10ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050125852-A1 Novel kinases SUGEN, INC. 2005-06-09 US disclosed
US-20050124794-A1 Cell surface tropomyosin as a target of angiogenesis inhibition MCCRAE KEITH (US) 2005-06-09 US disclosed
US-20050118681-A1 Novel regulatory molecule and genetic sequences encoding same WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2005-06-02 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 (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-20050124794-A1 Cell surface tropomyosin as a target of angiogenesis inhibition TPM3, TPM4, TPD52L2 TSHR 784/4885LMNA 3440/4885HSD17B10 3709/4885

“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.