SCHEMBL6517532

SCHEMBL6517532

Cc1ccc(S(=O)(=O)OCc2ccccc2)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.40
CYP19A1 P11511 3/20 0.39
MGMT P16455 1/20 0.39
AR P10275 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2431717 0.77 ALDH1A1 (0.45) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL7790404 0.77 ALDH1A1 (0.48) CA1CA2CA9ALDH1A1TDP1
SCHEMBL6899893 0.76 CA2 (0.52) CA1CA2CA9ALDH1A1TDP1
SCHEMBL10411921 0.75 MAPT (0.52) ALDH1A1TDP1TSHRCYP19A1MGMT
SCHEMBL28845039 0.75 KMT2A (0.49) CA1CA2CA9ALDH1A1TDP1
SCHEMBL8567103 0.75 MGMT (0.50) CA1CA2CA9CYP19A1MGMT
Dinitrophenylene SCHEMBL27773335 0.75 AR (0.46) ALDH1A1TSHRCYP3A4CYP19A1AR
SCHEMBL6517535 0.74 TSHR (0.38) CA1CA2ALDH1A1TDP1TSHR
SCHEMBL14228268 0.74 MGMT (0.48) ALDH1A1TDP1TSHRCYP3A4CYP19A1
SCHEMBL8970628 0.73 MMP1 (0.48) CA1CA2CA9ALDH1A1CYP3A4

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
CN-114127202-B Composition for coating high-low-level substrates comprising compound having curable functional group 日产化学株式会社 2023-09-05 CN disclosed
US-20050164258-A1 Process for high-yield synthesis of standard length and long-mer nucleic acid arrays AFFYMETRIX, INC. (US) 2005-07-28 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-20050164258-A1 Process for high-yield synthesis of standard length and long-mer nucleic acid arrays DIMT1, TRDMT1, BCAT1 CA1 2824/4885CA2 2639/4885CA9 2389/4885

“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.