SCHEMBL3328445

SCHEMBL3328445

CCc1ccc2c(c1[N+](=O)[O-])OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.66
TXNRD3 Q86VQ6 1/20 0.66
TXNRD2 Q9NNW7 1/20 0.66
MAPT P10636 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
GAA P10253 1/20 0.40
AOC3 Q16853 3/20 0.38
NQO2 P16083 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
VCP P55072 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5234315 0.85 TXNRD1 (0.64) TXNRD1TXNRD3TXNRD2MAPTKMT2A
SCHEMBL5239589 0.81 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTKMT2A
SCHEMBL5233976 0.80 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2MAPTKMT2A
SCHEMBL6038159 0.79 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2MAPTKMT2A
SCHEMBL773992 0.78 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTKMT2A
SCHEMBL774345 0.78 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2MAPTKMT2A
SCHEMBL6364031 0.78 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2MAPTKMT2A
SCHEMBL12932125 0.78 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2MAPTKMT2A
SCHEMBL1426690 0.77 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2MAPTKMT2A
SCHEMBL16724095 0.76 TXNRD1 (0.52) TXNRD1TXNRD3TXNRD2MAPTKMT2A

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-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US claimed
US-6965040-B1 Photogenerated reagents Gao, Xiaolian (US) 2005-11-15 US claimed

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-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR TXNRD1 603/4885TXNRD3 447/4885TXNRD2 528/4885

“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.