SCHEMBL19299384

SCHEMBL19299384

CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 3/20 0.59
RECQL P46063 1/20 0.59
UBE2N P61088 1/20 0.58
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL19299383 0.87 UBE2N (0.62) ALDH1A1RECQLUBE2NKDM4EMEN1
SCHEMBL19299377 0.81 KDM4E (0.61) ALDH1A1RECQLUBE2NKDM4EMEN1
SCHEMBL19299644 0.80 UBE2N (0.54) ALDH1A1UBE2NKDM4EMEN1KMT2A
SCHEMBL19299703 0.79 UBE2N (0.58) ALDH1A1RECQLUBE2NKDM4EMEN1
SCHEMBL19299645 0.79 UBE2N (0.60) ALDH1A1RECQLUBE2NKDM4EMEN1
SCHEMBL19299651 0.79 UBE2N (0.60) ALDH1A1RECQLUBE2NKDM4EMEN1
SCHEMBL19299705 0.78 UBE2N (0.59) ALDH1A1RECQLUBE2NKDM4EMEN1
SCHEMBL19299655 0.77 MEN1 (0.60) GAAALDH1A1UBE2NKDM4EMEN1
SCHEMBL12697080 0.77 KDM4E (0.74) ALDH1A1UBE2NKDM4EMEN1KMT2A
SCHEMBL19299654 0.76 ALDH1A1 (0.60) ALDH1A1UBE2NKDM4EMEN1KMT2A

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
EP-3212183-B1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS UNIV ROCHESTER (US) 2019-10-02 EP disclosed
US-10028931-B2 Synergistic compositions for treating microbial infections UNIVERSITY OF ROCHESTER (US) 2018-07-24 US disclosed
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS UNIVERSITY OF ROCHESTER (US) 2017-08-31 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 (2 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-10028931-B2 Synergistic compositions for treating microbial infections RNASE1, RNASEL, RNASEH1 GAA 416/4885CYP3A4 4014/4885CYP2C19 3669/4885
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS RNASE1, RNASEL, RNASEH1 GAA 416/4885CYP3A4 4014/4885CYP2C19 3669/4885

“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.