SCHEMBL19294530

SCHEMBL19294530

CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
POLB P06746 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
UBE2N P61088 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 2/20 0.55
USP2 O75604 1/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL19299709 0.82 UBE2N (0.52) ALDH1A1MAPTTDP1POLBL3MBTL1
SCHEMBL12697080 0.81 KDM4E (0.74) KDM4EALDH1A1MAPTTDP1LMNA
SCHEMBL19299646 0.81 UBE2N (0.59) KDM4EALDH1A1MAPTTDP1LMNA
SCHEMBL19299512 0.80 ALDH1A1 (0.67) KDM4EALDH1A1MAPTTDP1POLB
SCHEMBL19299511 0.78 ALDH1A1 (0.67) KDM4EALDH1A1MAPTTDP1POLB
SCHEMBL19294531 0.74 UBE2N (0.59) KDM4EALDH1A1MAPTTDP1LMNA
SCHEMBL18900754 0.74 UBE2N (0.67) ALDH1A1MAPTUBE2NRAB9ARECQL
SCHEMBL19299700 0.74 ALDH1A1 (0.57) KDM4EALDH1A1MAPTTDP1POLB
SCHEMBL19299702 0.74 MAPT (0.54) ALDH1A1MAPTPOLBTP53HPGD
SCHEMBL19299645 0.73 UBE2N (0.60) KDM4EALDH1A1MAPTTDP1LMNA

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 5 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-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
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 KDM4E 2925/4885ALDH1A1 3822/4885MAPT 4406/4885
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS RNASE1, RNASEL, RNASEH1 KDM4E 2925/4885ALDH1A1 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.