SCHEMBL8692154

SCHEMBL8692154

O=[N+]([O-])c1ccc(-c2cccs2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GPR35 Q9HC97 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 5/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
ERN1 O75460 1/20 0.45
PDE7A Q13946 1/20 0.43
PTPRC P08575 3/20 0.43
S100A4 P26447 2/20 0.43
MEN1 O00255 3/20 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
SCHEMBL11665288 0.87 PTPRC (0.50) TDP1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL11660607 0.84 ERN1 (0.55) TDP1MAPTNPC1RAB9AERN1
SCHEMBL27287105 0.83 ALDH1A1 (0.51) TDP1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL29064508 0.83 TSHR (0.51) ALDH1A1SMN1; SMN2GPR35HPGDTSHR
SCHEMBL38654501 0.83 S100A4 (0.47) TDP1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL27593939 0.83 ATM (0.50) TDP1ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL15741251 0.83 S100A4 (0.47) TDP1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL5913033 0.80 ERN1 (0.51) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL331601 0.80 ALDH1A1 (0.53) TDP1ALDH1A1SMN1; SMN2TP53HPGD
SCHEMBL7201063 0.79 ALDH1A1 (0.59) TDP1ALDH1A1SMN1; SMN2GPR35TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013808-B1 ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-04-15 EP disclosed
EP-3013807-B1 NAPHTHYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-04-08 EP disclosed
US-10327446-B2 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-06-25 US disclosed
EP-2794601-B1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2019-02-20 EP disclosed
EP-3013822-B1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES MERIAL INC (US) 2017-11-01 EP disclosed
US-9732051-B2 Isothiazoline compounds for combating invertebrate pests BASF SE (DE) 2017-08-15 US disclosed
US-20160374342-A1 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds MERIAL, INC. (US) 2016-12-29 US disclosed
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides MERIAL, INC. (US) 2016-10-13 US disclosed
US-20160145223-A1 Bicyclyl-Substituted Isothiazoline Compounds BASF SE (DE) 2016-05-26 US disclosed
EP-3013820-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2016-05-04 EP disclosed
WO-2014206909-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES BASF SE (DE) 2014-12-31 WO disclosed
WO-2014206908-A1 ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP BASF SE (DE) 2014-12-31 WO disclosed
WO-2014206910-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2014-12-31 WO disclosed
WO-2014206907-A1 NAPHTHYL- OR ISOQUINOLINYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2014-12-31 WO disclosed
WO-2014206911-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2014-12-31 WO disclosed
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests BASF SE (DE) 2014-12-11 US disclosed
EP-2794601-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2014-10-29 EP disclosed
WO-2013092943-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-06-27 WO disclosed
US-5719292-A REACTING IN PRESENCE OF BASE COUPLER COMPOUND HAVING HYDROGEN AT COUPLING SITE AND MIXED DISULFIDE COMPRISING TETRAZOLE OR OXADIAZOLE LINKED TO ONE SULFUR ATOM AND ALKYL OR ARYL GROUP LINKED TO OTHER EASTMAN KODAK COMPANY (US) 1998-02-17 US disclosed
US-4119629-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, WEIGHT CONTROL AGENTS MILLER RICHARD FOSTER 1978-10-10 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 (5 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-20160145223-A1 Bicyclyl-Substituted Isothiazoline Compounds BROX, TUBA3C, SYMPK TDP1 1228/4885ALDH1A1 2335/4885SMN1; SMN2 1752/4885
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides PTMS, DDT, PIR TDP1 373/4885ALDH1A1 1576/4885SMN1; SMN2 3064/4885
US-20160374342-A1 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds IPO5, SNX1, IPO9 TDP1 1498/4885ALDH1A1 3018/4885SMN1; SMN2 2115/4885
US-10327446-B2 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds IPO5, SNX1, IPO9 TDP1 1498/4885ALDH1A1 3018/4885SMN1; SMN2 2115/4885
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests PIR, ACHE, INMT TDP1 955/4885ALDH1A1 2079/4885SMN1; SMN2 2187/4885

“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.