SCHEMBL6810751

SCHEMBL6810751

O=[N+]([O-])c1cc(CO)cc([N+](=O)[O-])c1S

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
SNCA P37840 2/20 0.38
POLB P06746 1/20 0.38
TTR P02766 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GPR35 Q9HC97 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ACHE P22303 1/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8214082 0.81 ALDH1A1 (0.44) ALDH1A1MAPTSNCAPOLBTTR
SCHEMBL9812448 0.81 GPR35 (0.57) ALDH1A1MAPTTTRKDM4EGPR35
SCHEMBL11566427 0.79 GPR35 (0.52) ALDH1A1MAPTSNCAPOLBGPR35
SCHEMBL1667914 0.79 ALDH1A1 (0.50) ALDH1A1MAPTSNCAPOLBTTR
SCHEMBL8848416 0.76 TTR (0.58) ALDH1A1MAPTTTRKDM4EGPR35
SCHEMBL6810374 0.76 ALDH1A1 (0.41) ALDH1A1MAPTSNCAPOLBTTR
SCHEMBL515466 0.75 MAPT (0.54) ALDH1A1MAPTSNCAPOLBTTR
SCHEMBL9812439 0.75 KDM4E (0.53) ALDH1A1MAPTSNCATTRKDM4E
SCHEMBL6918424 0.73 MAPT (0.37) ALDH1A1MAPTSNCAPOLBTTR
SCHEMBL3596934 0.73 TSHR (0.46) ALDH1A1MAPTTTRKDM4EGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815567-B2 MANUFACTURING OF MOLECULAR ELECTRONIC DEVICE, NITRATION, ESTERIFICATION, HYDROLYSIS, SULFIDING ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2004-11-09 US disclosed
US-20040147786-A1 Derivatives of 4-sulfanylalkyl-3,5-dinitrobenzyl alcohol and method for preparing the same ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2004-07-29 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-20040147786-A1 Derivatives of 4-sulfanylalkyl-3,5-dinitrobenzyl alcohol and method for preparing the same ADH1A, ADH1C, ADH5 ALDH1A1 6/4885MAPT 4755/4885SNCA 1140/4885

“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.