SCHEMBL18844993

SCHEMBL18844993

Cc1c(Cl)cccc1NC(=O)c1ccccc1SSc1ccccc1C(=O)Nc1cccc(Cl)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 2/20 0.54
HPGD P15428 2/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 2/20 0.54
MT-CO2 P00403 2/20 0.54
PTGS2 P35354 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
TTR P02766 1/20 0.54
PLA2G1B P04054 1/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54

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
SCHEMBL8855681 0.86 CYP1A2 (0.72) ALDH1A1SMN1; SMN2KDM4ECYP1A2HPGD
SCHEMBL29168828 0.82 MAPT (0.65) MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL7825161 0.82 MAPT (0.68) MAPTALDH1A1KDM4ECYP1A2HPGD
SCHEMBL8855715 0.80 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL13212290 0.80 CYP1A2 (0.72) MAPTKDM4ECYP1A2HPGDCYP2C19
SCHEMBL17374927 0.80 MAPT (0.61) MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL18844916 0.79 RAB9A (0.74) MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL18844918 0.79 KMT2A (0.61) MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2
Iodide SCHEMBL30758631 0.76 MAPT (0.84) MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL8855772 0.75 RAB9A (0.68) MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142801-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-05-16 US disclosed
US-10172829-B2 Use of small molecules for the treatment of clostridium difficile toxicity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-01-08 US disclosed
US-20170128420-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-05-11 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 (3 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-10172829-B2 Use of small molecules for the treatment of clostridium difficile toxicity SLC10A2, TCERG1, SBDS MAPT 2661/4885ALDH1A1 1636/4885SMN1; SMN2 3761/4885
US-20190142801-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY SLC10A2, TCERG1, SBDS MAPT 2661/4885ALDH1A1 1636/4885SMN1; SMN2 3761/4885
US-20170128420-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY SLC10A2, TCERG1, SBDS MAPT 2661/4885ALDH1A1 1636/4885SMN1; SMN2 3761/4885

“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.