SCHEMBL19299544

SCHEMBL19299544

COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccco2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.78
KDM4E B2RXH2 8/20 0.78
ALDH1A1 P00352 6/20 0.78
HTT P42858 6/20 0.78
LMNA P02545 6/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
TDP1 Q9NUW8 3/20 0.78
GAA P10253 3/20 0.73
CYP2C9 P11712 1/20 0.73
RECQL P46063 1/20 0.73
KMT2A Q03164 7/20 0.69
MEN1 O00255 6/20 0.66
HPGD P15428 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.62
TP53 P04637 1/20 0.62
POLB P06746 1/20 0.61
HSP90AA1 P07900 1/20 0.58
AGTR1 P30556 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL19299656 0.91 KDM4E (0.82) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL19299712 0.89 KDM4E (0.76) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL19299715 0.89 KDM4E (0.82) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL12697080 0.88 KDM4E (0.74) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL19299521 0.88 KDM4E (1.00) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL21416971 0.85 KDM4E (1.00) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL19294486 0.84 MAPT (1.00) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL19299372 0.82 KMT2A (1.00) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL19294492 0.81 ALDH1A1 (0.66) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL19299643 0.81 KDM4E (1.00) MAPTKDM4EALDH1A1HTTLMNA

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

“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.