SCHEMBL18514947

SCHEMBL18514947

CCc1cc(Br)c(OCc2c(C)cccc2NC(=O)OC)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
LMNA P02545 5/20 0.38
NLRP3 Q96P20 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL18514929 0.94 SMN1; SMN2 (0.36) SLC22A12LMNANLRP3SMN1; SMN2ALDH1A1
SCHEMBL18760700 0.94 MEN1 (0.37) SLC22A12LMNANLRP3SMN1; SMN2ALDH1A1
SCHEMBL18514974 0.92 KMT2A (0.40) LMNASMN1; SMN2ALDH1A1KDM4ERXFP1
SCHEMBL18514971 0.91 ALDH1A1 (0.43) LMNANLRP3SMN1; SMN2ALDH1A1NPC1
SCHEMBL18515003 0.91 MEN1 (0.35) SLC22A12LMNANLRP3SMN1; SMN2ALDH1A1
SCHEMBL18514972 0.91 LMNA (0.38) SLC22A12LMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL18514975 0.91 LMNA (0.40) LMNASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL18514970 0.91 LMNA (0.36) SLC22A12LMNANLRP3SMN1; SMN2ALDH1A1
SCHEMBL18748831 0.91 SLC22A12 (0.41) SLC22A12LMNANLRP3SMN1; SMN2ALDH1A1
SCHEMBL18514605 0.90 LMNA (0.41) SLC22A12LMNASMN1; SMN2ALDH1A1NPC1

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 SLC22A12 4063/4885LMNA 2808/4885NLRP3 118/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 SLC22A12 4001/4885LMNA 3163/4885NLRP3 126/4885

“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.