SCHEMBL3362434

SCHEMBL3362434

N=C(SCc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP2A6 P11509 1/20 0.47
PLAU P00749 2/20 0.43
PDPK1 O15530 1/20 0.42
IDO1 P14902 4/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
F2 P00734 3/20 0.41
PLG P00747 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
PRSS1 P07477 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
SLC11A2 P49281 1/20 0.40
MCHR1 Q99705 1/20 0.39

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 SCHEMBL30377322 0.98 CYP1A2 (0.46) CYP1A2CYP2A6PLAUPDPK1IDO1
Bromide SCHEMBL3367273 0.98 CYP1A2 (0.46) CYP1A2CYP2A6PLAUPDPK1IDO1
SCHEMBL26090151 0.84 MCHR1 (0.48) CYP1A2CYP2A6IDO1F2PRSS1
Bromide SCHEMBL30378583 0.83 MCHR1 (0.47) CYP1A2CYP2A6IDO1F2PRSS1
SCHEMBL8191754 0.82 IDO1 (0.59) IDO1NOS3NOS1NOS2F2
SCHEMBL29154505 0.80 PDPK1 (0.49) CYP1A2CYP2A6PDPK1CYP2C19HTT
Hydrochloric Acid SCHEMBL6697129 0.80 IDO1 (0.61) IDO1NOS3NOS1NOS2PRSS1
Bromide SCHEMBL3372283 0.80 IDO1 (0.61) IDO1NOS3NOS1NOS2F2
SCHEMBL20677854 0.79 SLC11A2 (0.65) IDO1NOS3NOS1NOS2SLC11A2
SCHEMBL1747980 0.79 CYP1A2 (0.50) CYP1A2CYP2A6PLAUIDO1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023069613-A1 ARYLIMIDAMIDES FOR USE IN TREATMENT OF CANCERS OHIO STATE INNOVATION FOUNDATION (US) 2023-04-27 WO disclosed
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US disclosed
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
US-7241795-B2 Synthesis and antimicrobial activity of novel dicationic “reversed amidines” THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-07-10 US disclosed
US-20040235927-A1 Synthesis and antimicrobial activity of novel dicationic \"reversed amidines\ NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-11-25 US disclosed
US-6737440-B2 2,5-BIS ((ALKYL (OR ARYL) IMINO) AMINOPHENYL) FURANS, THIOPHENES OR PYRROLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-05-18 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 (3 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 CYP1A2 1407/4885CYP2A6 996/4885PLAU 4600/4885
US-20040235927-A1 Synthesis and antimicrobial activity of novel dicationic \"reversed amidines\ HRH4, HDHD5, MRPS7 CYP1A2 1682/4885CYP2A6 1010/4885PLAU 4579/4885
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' TLR7, DHRS9, TLR8 CYP1A2 1998/4885CYP2A6 1441/4885PLAU 4771/4885

“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.