SCHEMBL29657256

SCHEMBL29657256

COP(=O)(OC)C1C=Cc2cccc([N+](=O)[O-])c2N1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.32
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
GPR35 Q9HC97 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20502845 0.85 TDP1 (0.36) TDP1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL29657250 0.80
SCHEMBL29657189 0.80 TDP1 (0.34) TDP1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL29657144 0.79 CA12 (0.30)
SCHEMBL29657186 0.73 P2RX4 (0.38) ALDH1A1GAATSHRSMN1; SMN2MAPT
SCHEMBL29657191 0.71 ADRA2A (0.37) ALDH1A1TSHRMAPTCYP1A2CYP2C19
SCHEMBL29657255 0.68 TDP1 (0.34) TDP1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL29657244 0.66
SCHEMBL23356603 0.66 SRC (0.34) ALDH1A1L3MBTL1MAPTRXFP1HSD17B10
SCHEMBL23356593 0.64 TDP1 (0.36) TDP1ALDH1A1GAATSHRSMN1; SMN2

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 256/4885GAA 899/4885

“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.