SCHEMBL454852

SCHEMBL454852

N=C(NCc1ccc(Cl)cc1)NC(=N)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MAPK1 P28482 1/20 0.50
NLRP1 Q9C000 1/20 0.50
ERCC1 P07992 2/20 0.49
ERCC4 Q92889 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.46
ALOX12 P18054 2/20 0.46
PPARG P37231 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL29373341 1.00 LMNA (0.50) LMNAMAPK1NLRP1ERCC1ERCC4
SCHEMBL8895176 0.85 ALDH1A1 (0.53) LMNAMAPK1NLRP1ERCC1ERCC4
SCHEMBL8895096 0.85 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1ALOX12
Hydrochloric Acid SCHEMBL8896556 0.84 ALDH1A1 (0.52) LMNAMAPK1NLRP1ERCC1ERCC4
Hydrochloric Acid SCHEMBL8897948 0.84 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1ALOX12
SCHEMBL9843530 0.83 HTT (0.50) LMNAMAPK1NLRP1ERCC1ERCC4
SCHEMBL9353428 0.82 ALDH1A1 (0.43) LMNAMAPK1NLRP1ERCC1ERCC4
SCHEMBL8897145 0.76 MEN1 (0.51) LMNAERCC1ERCC4MEN1KMT2A
SCHEMBL3980061 0.76 LMNA (0.43) LMNAMAPK1NLRP1ERCC1ERCC4
SCHEMBL31506961 0.76 MEN1 (0.42) LMNAMAPK1NLRP1ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533478-A Therapeutic compositions and related methods 3M创新有限公司 2021-03-19 CN disclosed
US-9565857-B2 Antimicrobial solutions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-02-14 US disclosed
US-20130231302-A1 ANTIMICROBIAL SOLUTIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-09-05 US disclosed
WO-2012119155-A1 ANTIMICROBIAL COMPOSITIONS FOR TOOTH FLUORIDATION AND REMINERALIZATION AMERICAN DENTAL ASSOCIATION FOUNDATION (US) 2012-09-07 WO disclosed
WO-2012034032-A2 ANTIMICROBIAL SOLUTIONS THE BOARD OF REGENTS OF UNBIVERSITY OF TEXAS SYSTEM (US) 2012-03-15 WO disclosed
WO-2009058144-A1 CATIONIC ANTISEPTIC AND DYE FORMULATION ENTURIA, INC. (US) 2009-05-07 WO disclosed
EP-0987321-B9 Ultramild antibacterial cleaning composition for frequent use JOHNSON DIVERSEY INC (US) 2007-02-28 EP disclosed
EP-0987321-B1 Ultramild antibacterial cleaning composition for frequent use JOHNSON DIVERSEY INC (US) 2006-01-25 EP disclosed
EP-0911022-B1 Ultramild antibacterial cleaning composition for frequent use UNILEVER NV (NL) 2002-03-27 EP disclosed
EP-0987321-A2 Ultramild antibacterial cleaning composition for frequent use UNILEVER N.V. (NL) 2000-03-22 EP disclosed
EP-0911022-A1 Ultramild antibacterial cleaning composition for frequent use UNILEVER N.V. (NL) 1999-04-28 EP disclosed
EP-0185971-A1 Use of alkylglycosides as potentiators in antiseptic agents, and disinfectant and clearing agents with a bactericidal activity Henkel Kommanditgesellschaft auf Aktien (DE) 1986-07-02 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 (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-20130231302-A1 ANTIMICROBIAL SOLUTIONS UGCG, GANAB, GANC LMNA 3324/4885MAPK1 773/4885NLRP1 3853/4885

“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.