SCHEMBL23348176

SCHEMBL23348176

O=C(O)c1[nH]cc([N+](=O)[O-])c1OCl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 3/20 0.36
CASP6 P55212 2/20 0.35
DNA2 P51530 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
FBP1 P09467 7/20 0.35
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR35 Q9HC97 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
SCHEMBL2388710 0.74 TSHR (0.50) TPMTCYP1A2CYP2C9TSHRCASP6
SCHEMBL28052757 0.67 TSHR (0.58) CYP1A2CYP2C9TSHRCASP6DNA2
SCHEMBL4936434 0.66 TSHR (0.44) CYP1A2CYP2C9TSHRCASP6DNA2
SCHEMBL20568749 0.66 MAPT (0.40) CYP1A2CYP2C9TSHRLMNATDP1
SCHEMBL28036125 0.66 TDP1 (0.44) CYP1A2TSHRCASP6TDP1
SCHEMBL8963317 0.66 KDM4E (0.40) CYP1A2TSHRTDP1L3MBTL1GPR35
Ammonia Solution, Strong SCHEMBL16243724 0.65 TSHR (0.43) CYP1A2CYP2C9TSHRCASP6DNA2
SCHEMBL14267778 0.63 GPR35 (0.40) TSHRCASP6DNA2CTDSP1TDP1
SCHEMBL4703943 0.63 KMT2A (0.43) CYP1A2CYP2C9TSHRLMNATDP1
SCHEMBL7811994 0.63 POLB (0.42) CYP2C9TSHRLMNATDP1L3MBTL1

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-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 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-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI TPMT 81/4885CYP1A2 131/4885CYP2C9 189/4885

“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.