SCHEMBL8250667

SCHEMBL8250667

CCS(=O)(=O)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 1/20 0.55
HPGD P15428 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
ACHE P22303 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL28613032 0.91 ALDH1A1 (0.60) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL2398421 0.84 ALDH1A1 (0.56) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL3263548 0.83 ALDH1A1 (0.49) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL9826058 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL31628174 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL2287025 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL29437308 0.81 ALDH1A1 (0.67) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL124981 0.81 ALDH1A1 (0.67) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL11225404 0.80 ALDH1A1 (0.49) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL4506185 0.80 ALDH1A1 (0.56) ALDH1A1TSHRHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 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-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR2C ALDH1A1 668/4885TSHR 296/4885HPGD 718/4885

“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.