SCHEMBL31090476

SCHEMBL31090476

O=[N+]([O-])c1cccc(C2OCCO2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
GPR35 Q9HC97 2/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR4A1 P22736 1/20 0.35
S100A4 P26447 1/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5486010 0.83 HTT (0.44) TDP1HTTALDH1A1MAPTKMT2A
SCHEMBL9354521 0.81 TDP1 (0.41) TDP1GPR35HTTALDH1A1POLB
SCHEMBL30392759 0.81 TDP1 (0.41) TDP1GPR35HTTALDH1A1POLB
SCHEMBL3010961 0.78 TDP1 (0.61) TDP1GPR35ALDH1A1KMT2AMEN1
SCHEMBL28522110 0.78 TDP1 (0.44) TDP1GPR35HTTALDH1A1POLB
SCHEMBL31373574 0.77 ALDH1A1 (0.35) TDP1GPR35HTTALDH1A1MAPT
SCHEMBL26650712 0.77 ALDH1A1 (0.35) TDP1GPR35HTTALDH1A1MAPT
SCHEMBL29406184 0.77 TDP1 (0.47) TDP1HTTALDH1A1POLBGFER
SCHEMBL18555673 0.77 MEN1 (0.41) TDP1HTTALDH1A1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL28763100 0.76 TDP1 (0.58) TDP1GPR35ALDH1A1KMT2AMEN1

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-20240294548-A1 TRICYCLIC SULTAMS AND SULFAMIDES AS ANTITUMOR AGENTS PELOTON THERAPEUTICS INC. 2024-09-05 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-20240294548-A1 TRICYCLIC SULTAMS AND SULFAMIDES AS ANTITUMOR AGENTS DCAF15, RBM39, DCAF1 TDP1 751/4885GPR35 936/4885HTT 2595/4885

“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.