SCHEMBL19299512

SCHEMBL19299512

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
MAPT P10636 11/20 0.67
KDM4E B2RXH2 8/20 0.67
HTT P42858 7/20 0.67
LMNA P02545 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
MEN1 O00255 13/20 0.62
KMT2A Q03164 13/20 0.62
POLB P06746 7/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
RECQL P46063 5/20 0.59
HPGD P15428 3/20 0.59
ALOX12 P18054 1/20 0.59
TDP1 Q9NUW8 5/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
RAB9A P51151 6/20 0.58
THRB P10828 2/20 0.58
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56

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
SCHEMBL19299511 0.87 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL19299643 0.81 KDM4E (1.00) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL19294530 0.80 KDM4E (0.56) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL14825292 0.74 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL21416971 0.70 KDM4E (1.00) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL6721022 0.69 KMT2A (1.00) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL19299523 0.68 KDM4E (0.73) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL19294541 0.68 KDM4E (0.80) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL14096448 0.68 KMT2A (0.79) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL11869994 0.67 NOTUM (0.67) ALDH1A1MAPTKDM4EHTTLMNA

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

“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.