SCHEMBL19299646

SCHEMBL19299646

CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.59
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL19299702 0.90 MAPT (0.54) UBE2NALDH1A1MAPTKMT2ATP53
SCHEMBL12697080 0.84 KDM4E (0.74) UBE2NALDH1A1MAPTKDM4ELMNA
SCHEMBL19294530 0.81 KDM4E (0.56) UBE2NALDH1A1MAPTKDM4ELMNA
SCHEMBL19294531 0.77 UBE2N (0.59) UBE2NALDH1A1MAPTKDM4ELMNA
SCHEMBL18900754 0.76 UBE2N (0.67) UBE2NALDH1A1MAPT
SCHEMBL19299700 0.76 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL19299645 0.75 UBE2N (0.60) UBE2NALDH1A1MAPTKDM4ELMNA
SCHEMBL19294494 0.74 UBE2N (1.00) UBE2NKMT2A
SCHEMBL19299703 0.74 UBE2N (0.58) UBE2NALDH1A1MAPTKDM4ELMNA
SCHEMBL19299655 0.73 MEN1 (0.60) UBE2NALDH1A1KDM4ESMN1; SMN2TDP1

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 UBE2N 2057/4885ALDH1A1 3822/4885MAPT 4406/4885
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS RNASE1, RNASEL, RNASEH1 UBE2N 2057/4885ALDH1A1 3822/4885MAPT 4406/4885

“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.