Sugi Predict

Sugi Predict / Compounds / SCHEMBL5040863

SCHEMBL5040863

SCHEMBL5040863

O=[N+]([O-])c1ccc(Cc2cccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.55
▸ POLB P06746 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44

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
SCHEMBL15055794 0.82 ALDH1A1 (0.56) THRBPOLBALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL6122301 0.80 KMT2A (0.61) THRBPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL28161644 0.77 CYP1A2 (0.50) THRBPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL8087428 0.77 POLB (0.76) POLBALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL8094050 0.77 POLB (0.76) POLBALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL44366 0.77 POLB (0.76) POLBALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL8808301 0.76 MAPT (0.57) THRBPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL11514795 0.75 RAB9A (0.65) THRBPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL28246856 0.74 THRB (0.64) THRBPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL9306614 0.74 THRB (0.53) THRBPOLBALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107848283-B Anisotropic conductive film and display device using the same 国都化学(株) 2021-04-13 — — CN disclosed
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-1352910-A1 New analogs of nitrobenzylthioinosine Grünenthal GmbH (DE) 2003-10-15 — — EP disclosed
US-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 — — US disclosed
CN-1110484-C 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 2003-06-04 — — CN disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 — — US disclosed
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 — — US disclosed
US-6184242-B1 2-(substituted-phenyl)amino-imidazoline derivatives SYNTEX USA (LLC) 2001-02-06 — — US disclosed
CN-1216762-A 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 1999-05-19 — — CN disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 — — EP disclosed
US-4837316-A ANTIULCER AGENTS FUJIREBIO KABUSHIKI KAISHA (JP) 1989-06-06 — — US disclosed
EP-0214823-A2 Alkylamide derivatives with H2-receptor antagonistic and cytoprotective action FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1987-03-18 — — 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 (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 THRB 4314/4885POLB 3930/4885ALDH1A1 2335/4885
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides PTMS, DDT, PIR THRB 2196/4885POLB 4374/4885ALDH1A1 1576/4885
US-20160374342-A1 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds IPO5, SNX1, IPO9 THRB 4800/4885POLB 2678/4885ALDH1A1 3018/4885
US-10327446-B2 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds IPO5, SNX1, IPO9 THRB 4800/4885POLB 2678/4885ALDH1A1 3018/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 THRB 459/4885POLB 4738/4885ALDH1A1 2682/4885

“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.