SCHEMBL18748972

SCHEMBL18748972

COC(=S)Nc1cccc(CO)c1COc1ccc(C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
HPGD P15428 5/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL18748881 0.91 SMN1; SMN2 (0.42) MAPTL3MBTL1HPGDLMNAMAPK1
SCHEMBL18748885 0.89 MRGPRX4 (0.40) MAPTL3MBTL1HPGDLMNAMAPK1
SCHEMBL18749055 0.89 L3MBTL1 (0.43) MAPTL3MBTL1HPGDLMNAMAPK1
SCHEMBL18749127 0.88 LMNA (0.37) MAPTL3MBTL1LMNASMN1; SMN2NPC1
SCHEMBL18748803 0.88 SMN1; SMN2 (0.45) MAPTL3MBTL1HPGDLMNAMAPK1
SCHEMBL18748904 0.88 L3MBTL1 (0.43) MAPTL3MBTL1HPGDLMNAMAPK1
SCHEMBL18748906 0.87 L3MBTL1 (0.39) MAPTL3MBTL1LMNAMAPK1SMN1; SMN2
SCHEMBL18749030 0.87 MRGPRX4 (0.42) MAPTL3MBTL1HPGDSMN1; SMN2NPC1
SCHEMBL18748873 0.87 MRGPRX4 (0.42) MAPTLMNAMAPK1SMN1; SMN2NPC1
SCHEMBL18749057 0.86 L3MBTL1 (0.41) MAPTL3MBTL1HPGDLMNAMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9907307-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-06 US disclosed
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 MAPT 3329/4885L3MBTL1 35/4885HPGD 4800/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MAPT 2998/4885L3MBTL1 77/4885HPGD 4398/4885

“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.