SCHEMBL203832

SCHEMBL203832

Cc1nn(-c2ccccc2)nc1CBr

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
LMNA P02545 4/20 0.47
PKM P14618 3/20 0.47
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
KAT2B Q92831 1/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.45
MPO P05164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HDAC1 Q13547 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 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
SCHEMBL28768998 0.86 KDM4E (0.46) KDM4ELMNAPKMADORA1ADORA3
SCHEMBL12713296 0.83 KDM4E (0.49) KDM4ELMNAPKMADORA1ADORA3
SCHEMBL3507658 0.81 KDM4E (0.51) KDM4ELMNAPKMADORA1ADORA3
SCHEMBL3520487 0.81 KDM4E (0.48) KDM4ELMNAPKMADORA1ADORA3
SCHEMBL201295 0.81 LMNA (0.51) KDM4ELMNAPKMADORA1ADORA3
SCHEMBL12509518 0.80 KDM4E (0.47) KDM4ELMNAPKMADORA1ADORA3
SCHEMBL12024804 0.80 KDM4E (0.47) KDM4ELMNAPKMADORA1ADORA3
SCHEMBL416916 0.80 KDM4E (0.61) KDM4ELMNAPKMADORA1ADORA3
SCHEMBL24701303 0.79 CYP3A4 (0.48) KDM4ELMNAPKMADORA1ADORA3
SCHEMBL13197079 0.79 LMNA (0.54) KDM4ELMNAPKMADORA1ADORA3

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 CN disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
WO-2007001225-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS ALPHA 7 NICOTINIC RECEPTOR MODULATORS. ASTRAZENECA (SE) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
US-7056924-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-06-06 US disclosed
WO-2006037480-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. 2006-04-06 US disclosed
US-7001909-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-02-21 US disclosed
EP-1583760-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV Therapeutics Inc. (US) 2005-10-12 EP disclosed
US-20040176383-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
WO-2004067506-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC. (US) 2004-08-12 WO disclosed
US-20030176447-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-18 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 (7 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-20030176447-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP KDM4E 3386/4885LMNA 1866/4885PKM 703/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 KDM4E 2407/4885LMNA 1817/4885PKM 3434/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 KDM4E 1251/4885LMNA 2877/4885PKM 3844/4885
US-20040176383-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP KDM4E 3386/4885LMNA 1866/4885PKM 703/4885
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives NR1H3, NR1H2, NR1I2 KDM4E 2851/4885LMNA 3275/4885PKM 1842/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 KDM4E 4305/4885LMNA 3704/4885PKM 4619/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 KDM4E 2407/4885LMNA 1817/4885PKM 3434/4885

“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.