SCHEMBL8815917

SCHEMBL8815917

O=C(NC(=O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
TACR1 P25103 1/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.54
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
CASP1 P29466 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
SCHEMBL234454 0.88 LMNA (0.62) SLC6A2SLC6A3KMT2ATDP1NPC1
SCHEMBL8775653 0.85 LMNA (0.59) SLC6A2SLC6A3KMT2ATDP1NPC1
SCHEMBL550351 0.85 NPC1 (0.60) SLC6A2SLC6A3KMT2ATDP1NPC1
SCHEMBL7336549 0.85 SMN1; SMN2 (0.61) SLC6A2SLC6A3KMT2ATDP1NPC1
SCHEMBL14099869 0.84 SLC6A2 (0.56) SLC6A2SLC6A3KMT2ATDP1NPC1
SCHEMBL6951680 0.84 ALDH1A1 (0.58) SLC6A2SLC6A3KMT2ATDP1NPC1
SCHEMBL20143947 0.84 BCL2L1 (0.59) KMT2ACA12CA1CA2CA9
SCHEMBL5412368 0.83 TACR1 (0.48) SLC6A2SLC6A3KMT2ATDP1NPC1
SCHEMBL3068668 0.83 LMNA (0.57) SLC6A2SLC6A3KMT2ATDP1NPC1
SCHEMBL2295789 0.82 CA12 (0.66) SLC6A2SLC6A3KMT2ATDP1NPC1

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
US-20130079305-A1 3-SUBSTITUTED VINYLBORONATES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-03-28 US disclosed
WO-2011151822-A1 3-SUBSTITUTED VINYLBORONATES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2011-12-08 WO disclosed
WO-1997010247-A1 CLAVULANIC ACID DERIVATIVES FOR TREATING ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 1997-03-20 WO disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
US-4258050-A SYNERGISTS FOR PENICILLINS, CEPHALOSPORINS BEECHAM GROUP LIMITED (GB) 1981-03-24 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 (1 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-20130079305-A1 3-SUBSTITUTED VINYLBORONATES AND USES THEREOF VHL, ETV6, MVD SLC6A2 2944/4885SLC6A3 1045/4885KMT2A 1100/4885

“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.