SCHEMBL3363196

SCHEMBL3363196

N=C(SCc1ccc2ccccc2c1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
POLB P06746 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
BCHE P06276 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
ACHE P22303 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
Bromide SCHEMBL5549143 0.99 EPHX1 (0.47) EPHX1SLC6A2SLC6A4SLC6A3L3MBTL1
Bromide SCHEMBL15346705 0.91 EPHX1 (0.44) EPHX1SLC6A2SLC6A4SLC6A3MC4R
SCHEMBL3647202 0.81 DRD4 (0.43) EPHX1L3MBTL1MC4RMC5R
SCHEMBL3651241 0.75 STS (0.50) SMN1; SMN2
SCHEMBL11359685 0.75 EPHX1 (0.51) EPHX1SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL20677854 0.73 SLC11A2 (0.65)
SCHEMBL1747980 0.73 CYP1A2 (0.50) EPHX1SLC6A2SLC6A4SLC6A3MC4R
Hydrochloric Acid SCHEMBL6634923 0.72 CYP1A2 (0.48) MC4RMC5RCYP1A2CYP2A6LMNA
Bromide SCHEMBL20677866 0.72 IDO1 (0.65)
Bromide SCHEMBL1436967 0.72 CYP1A2 (0.48) MC4RMC5RCYP1A2CYP2A6LMNA

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-7745456-B2 Synthesis and antimicrobial activity of novel dicationic “reversed amidines” THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-06-29 US disclosed
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' The University of North Carolina at Chapel Hill: 2008-03-06 US disclosed
EP-1337510-A2 SYNTHESIS AND ANTIMICROBIAL ACTIVITYOF NOVEL DICATIONIC \"REVERSED AMIDINES\ UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2003-08-27 EP disclosed
US-20030083362-A1 Synthesis and antimicrobial activity of novel dicationic\"reversed amidines\ GEORGIA STATE UNIVERSITY 2003-05-01 US disclosed
WO-2002057224-A2 SYNTHESIS AND ANTIMICROBIAL ACTIVITYOF NOVEL DICATIONIC 'REVERSED AMIDINES' UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-07-25 WO 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-20030083362-A1 Synthesis and antimicrobial activity of novel dicationic\"reversed amidines\ HRH4, TLR7, DDAH1 EPHX1 3371/4885SLC6A2 3748/4885SLC6A4 3623/4885
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' TLR7, DHRS9, TLR8 EPHX1 3520/4885SLC6A2 3719/4885SLC6A4 3660/4885

“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.