SCHEMBL808482

SCHEMBL808482

CCc1cccc(C(=O)O)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.57
CASP7 P55210 1/20 0.57
CASP6 P55212 1/20 0.57
CLCN2 P51788 1/20 0.53
HMGB1 P09429 1/20 0.49
MMP2 P08253 1/20 0.47
GABRA1 P14867 3/20 0.45
GABRB2 P47870 3/20 0.45
ALDH1A1 P00352 3/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 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
SCHEMBL30762619 1.00 G6PD (0.57) G6PDCASP7CASP6CLCN2HMGB1
SCHEMBL17433852 0.91 CLCN2 (0.50) G6PDCASP7CASP6CLCN2HMGB1
Fluorobenzene SCHEMBL27572385 0.90 CLCN2 (0.49) G6PDCASP7CASP6CLCN2HMGB1
SCHEMBL5135887 0.87 G6PD (0.56) G6PDCASP7CASP6CLCN2HMGB1
SCHEMBL4444648 0.86 G6PD (0.59) G6PDCASP7CASP6CLCN2HMGB1
SCHEMBL30934865 0.86 G6PD (0.59) G6PDCASP7CASP6CLCN2HMGB1
SCHEMBL5965437 0.84 G6PD (0.57) G6PDCASP7CASP6CLCN2HMGB1
SCHEMBL3844490 0.84 G6PD (0.57) G6PDCASP7CASP6CLCN2HMGB1
SCHEMBL9058759 0.84 GABRA1 (0.45) CLCN2GABRA1GABRB2ALDH1A1ABCB11
SCHEMBL3622854 0.84 PARP1 (0.47) CLCN2GABRA1GABRB2ALDH1A1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481589-B1 ABRASIVE ARTICLES SAINT GOBAIN ABRASIVES INC (US) 2023-08-30 EP claimed
US-11503831-B2 Arthropoda repellent composition SANDERSTROTHMANN GMBH (DE) 2022-11-22 US claimed
CN-113905612-A Arthropod control composition 弗门尼舍有限公司 2022-01-07 CN claimed
EP-3763212-B1 ARTHROPODA REPELLENT COMPOSITION SANDERSTROTHMANN GMBH (DE) 2021-08-18 EP claimed
WO-2021005206-A1 ARTHROPODA REPELLENT COMPOSITION SANDERSTROTHMANN GMBH (DE) 2021-01-14 WO claimed
US-20210007354-A1 ARTHROPODA REPELLENT COMPOSITION SANDERSTROTHMANN GMBH (DE) 2021-01-14 US claimed
EP-3763212-A1 ARTHROPODA REPELLENT COMPOSITION SanderStrothmann GmbH (DE) 2021-01-13 EP claimed
WO-2020026143-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2020-02-06 WO claimed
US-20200040108-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA 2020-02-06 US claimed
EP-3604346-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES Procter & Gamble International Operations SA (CH) 2020-02-05 EP claimed
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG IHI CORPORATION (JP) 2014-07-24 US claimed
EP-2738158-A1 METAL SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC, AND ANTI-MALIGNANT TUMOR AGENT IHI Corporation (JP) 2014-06-04 EP claimed
CN-102869656-B Tetrahydrobenzothiophene compound ASTELLAS PHARMA INC 2014-03-12 CN claimed
US-20140046021-A1 SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND IHI CORPORATION (JP) 2014-02-13 US claimed
EP-2682384-A1 AUTO-MAGNETIC METAL SALEN COMPLEX COMPOUND IHI Corporation (JP) 2014-01-08 EP claimed
CN-102869656-A Tetrahydrobenzothiophene compound ASTELLAS PHARMA INC 2013-01-09 CN claimed
EP-2239257-B1 NOVEL QUINAZOLINE-2,4-DIONE DERIVATIVE, AND MEDICAL COMPOSITIONS FOR THE PROPHYLAXIS AND TREATMENT OF CRANIAL NERVE DISEASE CONTAINING THE SAME SHIN POONG PHARMACEUTICAL CO LTD (KR) 2012-06-06 EP claimed
JP-2005533066-A 2005-11-04 JP claimed
EP-1527070-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2005-05-04 EP claimed
WO-2003106455-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-12-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG NCLN, KCNN2, NCSTN G6PD 4113/4885CASP7 1992/4885CASP6 1855/4885
US-20140046021-A1 SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND SSBP1, KCNN1, IMMT G6PD 2405/4885CASP7 3368/4885CASP6 3174/4885
US-20200040108-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES MGAM, FUT5, FUT6 G6PD 95/4885CASP7 3747/4885CASP6 3193/4885

“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.