SCHEMBL18514928

SCHEMBL18514928

CCc1cc(Br)c(OCc2ccccc2NC(=O)OC)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 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
SCHEMBL18748865 0.92 FFAR4 (0.42) FFAR4ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL18514816 0.89 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL18514808 0.89 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL18514929 0.89 SMN1; SMN2 (0.36) FFAR4KMT2AMEN1ALDH1A1MAPT
SCHEMBL18514608 0.88 LMNA (0.43) FFAR4KMT2AMEN1ALDH1A1MAPT
SCHEMBL18514947 0.87 SLC22A12 (0.39) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL18514829 0.87 ALDH1A1 (0.39) FFAR4KMT2AMEN1ALDH1A1MAPT
SCHEMBL18760700 0.86 MEN1 (0.37) FFAR4KMT2AMEN1ALDH1A1MAPT
SCHEMBL18514786 0.86 HDAC8 (0.40) FFAR4KMT2AMEN1ALDH1A1MAPT
SCHEMBL18513881 0.86 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTHTT

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-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
EP-3130584-A1 AROMATIC COMPOUND AND USES THEREOF Sumitomo Chemical Company Limited (JP) 2017-02-15 EP 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 FFAR4 4194/4885KMT2A 705/4885MEN1 1194/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 FFAR4 4026/4885KMT2A 1447/4885MEN1 2823/4885

“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.