SCHEMBL21335366

SCHEMBL21335366

CC(C)c1nc2ccc(I)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP1A2 P05177 1/20 0.50
SCN10A Q9Y5Y9 5/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
APP P05067 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AAK1 Q2M2I8 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
SCHEMBL12463302 0.86 HSD17B10 (0.57) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL11720785 0.81 KDM4E (0.44) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL890080 0.80 CYP1A2 (0.75) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL798790 0.80 SCN10A (0.69) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL14267003 0.79 ALPL (0.70) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL14197238 0.79 KDM4E (0.57) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL11740622 0.79 ALDH1A1 (0.61) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL521650 0.79 KDM4E (0.58) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL2705606 0.77 KDM4E (0.65) KDM4ELMNAHSD17B10CYP1A2SCN10A
SCHEMBL12938095 0.77 KDM4E (0.69) KDM4ELMNAHSD17B10CYP1A2SCN10A

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-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP (US) 2019-09-10 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-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MGAM, BMX, XDH KDM4E 1189/4885LMNA 1090/4885HSD17B10 1359/4885

“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.