SCHEMBL31301893

SCHEMBL31301893

O=c1[nH]nnn1-c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CASP6 P55212 1/20 0.35
PARP1 P09874 1/20 0.35
TNK2 Q07912 1/20 0.35
TNK1 Q13470 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 3/20 0.34
AR P10275 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MAPT P10636 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
PGR P06401 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
SCHEMBL1946273 0.89 ALDH1A1 (0.44) ATMTDP1CASP6ALDH1A1HIF1A
SCHEMBL4670522 0.76 KMT2A (0.50) TDP1ALDH1A1IDO1TDO2MAPT
SCHEMBL1943293 0.76 MAPT (0.40) ATMTDP1ALDH1A1HIF1ALMNA
SCHEMBL29717275 0.74 MAPT (0.51) TDP1ALDH1A1LMNAMAPTCYP1A2
SCHEMBL9401918 0.74 AR (0.37) ARIDO1TDO2
SCHEMBL1943700 0.74 HPN (0.51) ALDH1A1LMNAIDO1TDO2MAPT
SCHEMBL19554375 0.73 LMNA (0.51) ALDH1A1LMNAMAPTNPSR1MEN1
SCHEMBL19555054 0.73 MAPT (0.35) TDP1ALDH1A1LMNAMAPTCYP1A2
SCHEMBL10418812 0.72 ALDH1A1 (0.50) TDP1CASP6ALDH1A1HIF1ALMNA
SCHEMBL1945579 0.72 ALDH1A1 (0.44) TDP1CASP6ALDH1A1HIF1ALMNA

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-20250002455-A1 NEW N-PHENYLPYRROLAMIDE INHIBITORS OF DNA GYRASE AND TOPOISOMERASE IV WITH ANTIBACTERIAL ACTIVITY UNIV LJUBLJANI (SI) 2025-01-02 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-20250002455-A1 NEW N-PHENYLPYRROLAMIDE INHIBITORS OF DNA GYRASE AND TOPOISOMERASE IV WITH ANTIBACTERIAL ACTIVITY TOP1, TOP2A, TOP2B ATM 2147/4885TDP1 36/4885CASP6 1301/4885

“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.