SCHEMBL3354019

SCHEMBL3354019

COC(=O)Cn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.50
ATM Q13315 1/20 0.46
ALDH1A1 P00352 5/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
APOBEC3A P31941 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
NPC1 O15118 1/20 0.44
AR P10275 1/20 0.44
KRAS P01116 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL14876295 0.90 ATM (0.55) ATMALDH1A1ARKRASMTNR1A
SCHEMBL23631640 0.88 KDM4E (0.51) HTR7ALDH1A1POLBKDM4EHPGD
SCHEMBL1122247 0.87 ALDH1A1 (0.52) HTR7ALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL2872712 0.87 HTR7 (0.57) HTR7ALDH1A1SMN1; SMN2NPC1AR
SCHEMBL3062365 0.86 HTR7 (0.47) HTR7ALDH1A1SMN1; SMN2NPC1AR
SCHEMBL13139566 0.85 HTR7 (0.53) HTR7ALDH1A1POLBKDM4EHPGD
SCHEMBL3356863 0.84 HTR7 (0.50) HTR7ALDH1A1POLBKDM4EHPGD
SCHEMBL30337629 0.84 MEN1 (0.43) ATMALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL2873839 0.83 KMT2A (0.54) HTR7POLBNPC1ARKRAS
SCHEMBL2870320 0.83 KMT2A (0.54) HTR7POLBNPC1ARKRAS

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-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 US disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP 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-20210214359-A1 Compounds and Methods for Treating Bacterial Infections CBS, MPO, QSOX1 HTR7 3247/4885ATM 2137/4885ALDH1A1 744/4885

“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.