SCHEMBL29657255

SCHEMBL29657255

COP(=O)(OC)C1c2cccc([N+](=O)[O-])c2C=CN1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 4/20 0.33
TSHR P16473 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ABCC4 O15439 1/20 0.33
PLIN1 O60240 1/20 0.33
CACNA1F O60840 1/20 0.33
GMNN O75496 1/20 0.33
KCNK2 O95069 1/20 0.33
ABCB11 O95342 1/20 0.33
GSR P00390 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL23356557 0.85 TDP1 (0.36) TDP1ALDH1A1KMT2ATSHRMAPT
SCHEMBL29657208 0.81 LMNA (0.36) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL5141131 0.76 TDP1 (0.40) TDP1ALDH1A1KMT2ATSHRMAPT
SCHEMBL29657202 0.74 BRD4 (0.44) TDP1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL29657189 0.70 TDP1 (0.34) TDP1ALDH1A1KMT2ATSHRGAA
SCHEMBL11729296 0.70 PAX8 (0.38) TDP1ALDH1A1KMT2AMAPTGAA
SCHEMBL29657256 0.68 TDP1 (0.34) TDP1ALDH1A1TSHRMAPTGAA
SCHEMBL29657157 0.67 BRD4 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23356575 0.67 POLB (0.37) ALDH1A1KMT2ACYP1A2CYP3A4MAPK1
SCHEMBL29657135 0.65

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-11286240-B2 Catalyst bound alpha radical and synthesis of OXO compounds using the same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-03-29 US claimed
US-11286240-B2 Catalyst bound alpha radical and synthesis of OXO compounds using the same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-03-29 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-11286240-B2 Catalyst bound alpha radical and synthesis of OXO compounds using the same CBR1, POR, CAT TDP1 2570/4885ALDH1A1 256/4885KMT2A 2616/4885

“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.