SCHEMBL19299518

SCHEMBL19299518

O=C(Cc1ccccc1)NNC(=S)NC(=O)c1ccco1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.71
HTT P42858 9/20 0.71
GAA P10253 5/20 0.71
L3MBTL1 Q9Y468 4/20 0.71
ALDH1A1 P00352 8/20 0.63
LMNA P02545 8/20 0.63
MAPT P10636 7/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALOX12 P18054 1/20 0.63
RAB9A P51151 1/20 0.63
HPGD P15428 1/20 0.62
POLB P06746 1/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
NPC1 O15118 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
TDP1 Q9NUW8 4/20 0.58
HSP90AA1 P07900 2/20 0.58
CYP2C9 P11712 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
SCHEMBL19299517 0.90 LMNA (0.66) KDM4EHTTGAAL3MBTL1ALDH1A1
SCHEMBL19299647 0.86 HPGD (0.75) KDM4EHTTGAAL3MBTL1ALDH1A1
SCHEMBL19299712 0.84 KDM4E (0.76) KDM4EHTTGAAL3MBTL1ALDH1A1
SCHEMBL4025940 0.82 ALDH1A1 (0.76) KDM4EHTTGAAALDH1A1LMNA
SCHEMBL15145920 0.82 GAA (0.71) KDM4EHTTGAAALDH1A1LMNA
SCHEMBL14096450 0.78 RAB9A (0.76) GAAALDH1A1LMNAMAPTALOX12
SCHEMBL21416971 0.78 KDM4E (1.00) KDM4EHTTGAAL3MBTL1ALDH1A1
SCHEMBL19299643 0.78 KDM4E (1.00) KDM4EHTTGAAL3MBTL1ALDH1A1
SCHEMBL19299539 0.77 KDM4E (1.00) KDM4EHTTGAAL3MBTL1ALDH1A1
SCHEMBL14096451 0.77 KMT2A (0.82) KDM4EHTTGAAL3MBTL1ALDH1A1

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 2925/4885HTT 3136/4885GAA 416/4885
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS RNASE1, RNASEL, RNASEH1 KDM4E 2925/4885HTT 3136/4885GAA 416/4885

“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.