SCHEMBL3610318

SCHEMBL3610318

CC(C)(CBr)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
CYP2D6 P10635 3/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 3/20 0.46
TRPA1 O75762 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
TP53 P04637 1/20 0.40
HIF1A Q16665 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 3/20 0.38
FDPS P14324 1/20 0.38
CALM1 P0DP23 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
MEN1 O00255 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
SCHEMBL11779972 0.88 CYP3A4 (0.44) SLC6A2TAAR1CYP2D6LMNATSHR
SCHEMBL1572105 0.85 SLC6A2 (0.64) SLC6A2TAAR1CYP2D6LMNATSHR
SCHEMBL11451589 0.81 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATSHR
SCHEMBL28548162 0.80 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATSHR
SCHEMBL17832229 0.79 SLC6A2 (0.52) SLC6A2TAAR1CYP2D6LMNATSHR
SCHEMBL4352224 0.78 SLC6A2 (0.56) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL11462318 0.77 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATSHR
SCHEMBL4661772 0.77 SLC6A2 (0.61) SLC6A2TAAR1CYP2D6LMNATSHR
SCHEMBL28358439 0.77 SLC6A2 (0.61) SLC6A2TAAR1CYP2D6LMNATSHR
SCHEMBL113690 0.76 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
WO-2008040057-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO disclosed
US-3987087-A ANTI-ULCER, NASAL PATENCY, WOUND HEALING, LABOR INDUCEMENT THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3983158-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-09-28 US disclosed
US-3983157-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-09-28 US disclosed
US-3980694-A ANTIULCER, ANTIAGGLOMERANTS, INCREASE OF NASAL PATENCY, LABOR INDUCEMENT, WOUND HEALINGPROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-09-14 US disclosed
US-3931289-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-01-06 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-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 SLC6A2 3201/4885TAAR1 3460/4885CYP2D6 3392/4885

“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.