SCHEMBL23356557

SCHEMBL23356557

CN1C=Cc2c(cccc2[N+](=O)[O-])C1P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
GPR35 Q9HC97 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
GLA P06280 1/20 0.33
CTSD P07339 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL29657255 0.85 TDP1 (0.34) TDP1KDM4EMAPTMEN1KMT2A
SCHEMBL5141131 0.81 TDP1 (0.40) TDP1GPR35KDM4EMAPTMEN1
SCHEMBL23356575 0.78 POLB (0.37) MEN1KMT2AALDH1A1POLB
SCHEMBL23356597 0.72 BRD4 (0.46) TDP1KDM4EMAPTMEN1KMT2A
SCHEMBL11729296 0.69 PAX8 (0.38) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29657208 0.69 LMNA (0.36) MEN1KMT2AALDH1A1POLB
SCHEMBL23356593 0.68 TDP1 (0.36) TDP1GPR35KDM4EMAPTKMT2A
SCHEMBL27762971 0.66 ALDH1A1 (0.36) TDP1GPR35KDM4EMAPTMEN1
SCHEMBL20502845 0.66 TDP1 (0.36) TDP1GPR35KDM4EMAPTMEN1
SCHEMBL15617625 0.65 TDP1 (0.41) TDP1GPR35KDM4EMAPTMEN1

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-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 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-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME CBR1, POR, CAT TDP1 2502/4885GPR35 4407/4885KDM4E 3242/4885

“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.