SCHEMBL958906

SCHEMBL958906

NC(=O)c1sc2ccccc2c1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.54
IKBKB O14920 1/20 0.54
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
BTK Q06187 1/20 0.40
MCL1 Q07820 1/20 0.40
KDM4E B2RXH2 2/20 0.39
OGG1 O15527 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL21714170 0.86 LIMK1 (0.51) LIMK1IKBKBALDH1A1MEN1KMT2A
SCHEMBL25107847 0.79 MEN1 (0.37) LIMK1IKBKBALDH1A1MEN1KMT2A
SCHEMBL12325636 0.79 MEN1 (0.39) LIMK1IKBKBMEN1KMT2AMAPT
SCHEMBL1099030 0.78 MCL1 (0.56) LIMK1IKBKBALDH1A1MEN1KMT2A
SCHEMBL15532749 0.74 LIMK1 (0.48) LIMK1IKBKBNPC1RAB9AGAA
SCHEMBL17042189 0.74 MEN1 (0.39) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL29372456 0.74 MEN1 (0.39) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL2431624 0.72 MAPK1 (0.39) LIMK1IKBKBMEN1KMT2AMAPT
SCHEMBL8336784 0.72 MAOB (0.47) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL22231607 0.72 LIMK1 (0.38) LIMK1IKBKBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836074-B1 CO-CRYSTALS OF 3-IODOPROPYNYL BUTYLCARBAMATE MILANO POLITECNICO (IT) 2018-12-26 EP disclosed
US-9848599-B2 Co-crystals of 3-iodopropynyl butylcarbamate POLITECNICO DI MILANO (IT) 2017-12-26 US disclosed
US-20150051280-A1 Co-Crystals of 3-Iodopropynyl Butylcarbamate POLITECNICO DI MILANO (IT) 2015-02-19 US disclosed
EP-2836074-A1 CO-CRYSTALS OF 3-IODOPROPYNYL BUTYLCARBAMATE Politecnico di Milano (IT) 2015-02-18 EP disclosed
WO-2013153059-A1 CO-CRYSTALS OF 3-IODOPROPYNYL BUTYLCARBAMATE POLITECNICO DI MILANO (IT) 2013-10-17 WO disclosed
US-8231721-B2 Antifungal liquid formulations LANXESS DEUTSCHLAND GMBH (DE) 2012-07-31 US disclosed
US-20110139033-A1 ANTIFUNGAL LIQUID FORMULATIONS LANXESS DEUTSCHLAND GMBH (DE) 2011-06-16 US disclosed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US disclosed
US-20060194747-A1 Applying on plants, crops a pesticides comprising clothianidin and one or more insecticides selected from beta -cyfluthrin and lambda-cyhalothrin; use smaller amounts ANDERSCH WOLFRAM 2006-08-31 US disclosed
US-7097848-B2 Synergistic insecticidal mixtures BAYER CROPSCIENCE AG (DE) 2006-08-29 US disclosed
US-20050222051-A1 Synergistic insecticidal mixtures BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-10-06 US disclosed
US-6894074-B2 Synergistic insecticidal mixtures BAYER AKTIENGESELLSCHAFT (DE) 2005-05-17 US disclosed
US-6849744-B2 α-phenyl-β-keto sulfones BAYER AKTIENGESELLSCHAFT (DE) 2005-02-01 US disclosed
US-6806292-B2 SUCH AS N-CYANO-N'-CYCLOHEXYL-ETH-1-YL-ETHANE-AMIDINE; PESTICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-10-19 US disclosed
US-20040082650-A1 Synergistic insecticidal mixtures BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-04-29 US disclosed
US-6716874-B1 AGONISTS AND/OR ANTAGONISTS OF NICOTINIC ACETYLCHOLINE RECEPTORS WITH CYCLIC KETOENOLS, DIHYDROFURANONE DERIVATIVE; 3-(TRIMETHYLPHENYL)-2-OXO-1-OXASPIRO(4.4)NON-3-EN-4-YL 3,3-DIMETHYLBUTYRATE; PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2004-04-06 US disclosed
US-20040063669-A1 Alpha-phenyl-beta-ketosulfone FISCHER REINER (DE) 2004-04-01 US disclosed
US-6670385-B1 Fungicides, herbicides and insecticides for crops BAYER AKTIENGESELLSCHAFT (DE) 2003-12-30 US disclosed
US-20030100613-A1 Substituted imide derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-05-29 US disclosed
WO-2001040256-A1 TACCALONOLIDES AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 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 (6 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-20030100613-A1 Substituted imide derivatives DDT, CBR3, CBR1 LIMK1 4504/4885IKBKB 2398/4885ALDH1A1 998/4885
US-20050222051-A1 Synergistic insecticidal mixtures MEP1B, ABAT, API5 LIMK1 4435/4885IKBKB 415/4885ALDH1A1 4180/4885
US-20060194747-A1 Applying on plants, crops a pesticides comprising clothianidin and one or more insecticides selected from beta -cyfluthrin and lambda-cyhalothrin; use smaller amounts DDT, CRY1, CYCS LIMK1 3949/4885IKBKB 3981/4885ALDH1A1 3134/4885
US-20040063669-A1 Alpha-phenyl-beta-ketosulfone CYP2S1, SULT1E1, SKP1 LIMK1 3207/4885IKBKB 1080/4885ALDH1A1 704/4885
US-20150051280-A1 Co-Crystals of 3-Iodopropynyl Butylcarbamate BRI3BP, BIRC3, TBCB LIMK1 3342/4885IKBKB 235/4885ALDH1A1 4201/4885
US-20040082650-A1 Synergistic insecticidal mixtures CHRM1, CHRNG, CHRNA1 LIMK1 3494/4885IKBKB 3746/4885ALDH1A1 2724/4885

“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.