SCHEMBL19299643

SCHEMBL19299643

Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
LMNA P02545 7/20 1.00
ALDH1A1 P00352 5/20 1.00
HTT P42858 4/20 1.00
MAPT P10636 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
KMT2A Q03164 5/20 0.67
TDP1 Q9NUW8 4/20 0.67
MEN1 O00255 4/20 0.67
CRHBP P24387 2/20 0.67
CRHR2 Q13324 2/20 0.67
CYP1A2 P05177 1/20 0.62
RAB9A P51151 2/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 1/20 0.62
POLB P06746 2/20 0.60
GAA P10253 2/20 0.60
HSP90AA1 P07900 1/20 0.60
AGTR1 P30556 1/20 0.60
RECQL P46063 1/20 0.60

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
SCHEMBL21416971 0.89 KDM4E (1.00) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL19294541 0.87 KDM4E (0.80) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL19299523 0.84 KDM4E (0.73) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL19299712 0.83 KDM4E (0.76) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL19299512 0.81 ALDH1A1 (0.67) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL19299544 0.81 MAPT (0.78) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL19299656 0.81 KDM4E (0.82) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL19299694 0.79 KDM4E (1.00) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL19299715 0.79 KDM4E (0.82) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL19294522 0.78 KDM4E (0.74) KDM4ELMNAALDH1A1HTTMAPT

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 KDM4E 2925/4885LMNA 2478/4885ALDH1A1 3822/4885
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS RNASE1, RNASEL, RNASEH1 KDM4E 2925/4885LMNA 2478/4885ALDH1A1 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.