SCHEMBL3006160

SCHEMBL3006160

N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2Br)c(Br)c1.O=S(=O)(O)CCO

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.67
PLAU P00749 1/20 0.67
ST14 Q9Y5Y6 1/20 0.67
POLB P06746 3/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MAPT P10636 2/20 0.65
KDM4E B2RXH2 2/20 0.65
NPC1 O15118 1/20 0.65
ALOX15 P16050 1/20 0.65
BRCA1 P38398 1/20 0.65
HTT P42858 1/20 0.65
GMNN O75496 1/20 0.65
PKM P14618 1/20 0.65
THPO P40225 1/20 0.65
MTOR P42345 1/20 0.65
RECQL P46063 1/20 0.65
BLM P54132 1/20 0.65

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
SCHEMBL20528835 1.00 F2 (0.67) F2PLAUST14POLBALDH1A1
SCHEMBL985038 1.00 F2 (0.67) F2PLAUST14POLBALDH1A1
Dibrompropamidine SCHEMBL30231952 0.96 F2 (0.72) F2PLAUST14POLBALDH1A1
Dibrompropamidine SCHEMBL871570 0.96 F2 (0.72) F2PLAUST14POLBALDH1A1
Dibrompropamidine SCHEMBL2471251 0.96 F2 (0.72) F2PLAUST14POLBALDH1A1
SCHEMBL14599538 0.85 F2 (0.90) F2PLAUST14PRSS1KLK1
SCHEMBL597315 0.85 F2 (0.90) F2PLAUST14PRSS1KLK1
Dibrompropamidine SCHEMBL29709297 0.81 F2 (1.00) F2PLAUST14PRSS1
Dibrompropamidine SCHEMBL292947 0.81 F2 (1.00) F2PLAUST14PRSS1
Dibrompropamidine SCHEMBL29232796 0.81 F2 (0.71) F2PLAUST14PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183692-A1 COMPOSITIONS GIVAUDAN SA (CH) 2010-07-22 US claimed
US-10973228-B2 Eco-friendly non-aqueous antimicrobial composition comprising hinokitiol with 1,3-propanediol and/or sorbitan caprylate ISP INVESTMENTS LLC (US) 2021-04-13 US disclosed
EP-2879492-B1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING HINOKITIOL WITH 1,3-PROPANEDIOL OR SORBITAN CAPRYLATE ISP INVESTMENTS INC (US) 2018-10-03 EP disclosed
EP-2879499-B1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING TROPOLONE WITH 1,3-PROPANEDIOL OR SORBITAN CAPRYLATE ISP INVESTMENTS INC (US) 2018-09-26 EP disclosed
US-9226882-B2 Eco-friendly non-aqueous antimicrobial composition comprising tropolone with 1,3-propanediol and/or sorbitan caprylate ISP INVESTMENTS INC. (US) 2016-01-05 US disclosed
US-20150216773-A1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING TROPOLONE WITH 1,3-PROPANEDIOL AND/OR SORBITAN CAPRYLATE ISP INVESTMENT INC. (US) 2015-08-06 US disclosed
US-20150173355-A1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING HINOKITIOL WITH 1,3-PROPANEDIOL AND/OR SORBITAN CAPRYLATE ISP INVESTMENTS INC. (US) 2015-06-25 US disclosed
EP-2879499-A1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING TROPOLONE WITH 1,3-PROPANEDIOL AND/OR SORBITAN CAPRYLATE Isp Investments Inc. (US) 2015-06-10 EP disclosed
EP-2879492-A1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING HINOKITIOL WITH 1,3-PROPANEDIOL AND/OR SORBITAN CAPRYLATE Isp Investments Inc. (US) 2015-06-10 EP disclosed
WO-2014025413-A1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING HINOKITIOL WITH 1,3-PROPANEDIOL AND/OR SORBITAN CAPRYLATE ISP INVESTMENTS INC. (US) 2014-02-13 WO disclosed
WO-2014025412-A1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING TROPOLONE WITH 1,3-PROPANEDIOL AND/OR SORBITAN CAPRYLATE ISP INVESTMENTS INC. (US) 2014-02-13 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 (4 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-10973228-B2 Eco-friendly non-aqueous antimicrobial composition comprising hinokitiol with 1,3-propanediol and/or sorbitan caprylate EBP, TRPV1, TES F2 3687/4885PLAU 4854/4885ST14 1645/4885
US-20100183692-A1 COMPOSITIONS NISCH, CUTA, C9 F2 528/4885PLAU 2107/4885ST14 3443/4885
US-20150173355-A1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING HINOKITIOL WITH 1,3-PROPANEDIOL AND/OR SORBITAN CAPRYLATE EBP, NONO, HOGA1 F2 3854/4885PLAU 4133/4885ST14 3463/4885
US-20150216773-A1 ECO-FRIENDLY NON-AQUEOUS ANTIMICROBIAL COMPOSITION COMPRISING TROPOLONE WITH 1,3-PROPANEDIOL AND/OR SORBITAN CAPRYLATE CYP51A1, CYP17A1, POLR1C F2 1606/4885PLAU 4379/4885ST14 2670/4885

“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.