SCHEMBL412602

SCHEMBL412602

O=Cc1cc(Cl)ncc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KCNQ3 O43525 2/20 0.31
KCNQ2 O43526 2/20 0.31
KCNE1 P15382 2/20 0.31
KCNQ1 P51787 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL29954903 1.00 ERN1 (0.35) ERN1POLBCASP6TDP1ALDH1A1
SCHEMBL29952308 0.83 ERN1 (0.35) ERN1POLBCASP6TDP1KCNQ3
SCHEMBL898922 0.83 ERN1 (0.35) ERN1POLBCASP6TDP1KCNQ3
SCHEMBL26984273 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL24086588 0.78 ERN1 (0.38) ERN1POLBCASP6
SCHEMBL1533918 0.78 TDP1 (0.40) ERN1TDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL30589401 0.78 TDP1 (0.40) ERN1TDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL6856975 0.75 ERN1 (0.34) ERN1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL1389512 0.75 ERN1 (0.48) ERN1POLBTDP1ALDH1A1
SCHEMBL9938111 0.75 ERN1 (0.41) ERN1TDP1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059161-A1 COMPOUNDS AND METHODS FOR MODULATING STAT3 VIVIDION THERAPEUTICS, INC. 2025-02-20 US disclosed
WO-2024182693-A1 2-AZASPIRO[3.3]HEPTANE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF CANCER VIVIDION THERAPEUTICS, INC. (US) 2024-09-06 WO disclosed
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
CN-114423750-A 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof 成都赜灵生物医药科技有限公司 2022-04-29 CN disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
US-10954251-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-03-23 US disclosed
US-20200253978-A1 HETEROCYCLICS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR ADVNET PHARMA CO. LTD. (CN) 2020-08-13 US disclosed
EP-3368544-B1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
EP-2051990-A1 SMAC PEPTIDOMIMETICS USEFUL AS IAP INHIBITORS Novartis AG (CH) 2009-04-29 EP disclosed
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
WO-2008016893-A1 SMAC PEPTIDOMIMETICS USEFUL AS IAP INHIBITORS NOVARTIS AG (CH) 2008-02-07 WO disclosed
WO-2008016893-A1 SMAC PEPTIDOMIMETICS USEFUL AS IAP INHIBITORS NOVARTIS AG (CH) 2008-02-07 WO disclosed
WO-2007016358-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-02-08 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 (8 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-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ERN1 2560/4885POLB 3834/4885CASP6 3067/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 ERN1 2560/4885POLB 3834/4885CASP6 3067/4885
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG ERN1 2308/4885POLB 2561/4885CASP6 2128/4885
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators SHBG, AR, NR5A1 ERN1 4310/4885POLB 520/4885CASP6 4453/4885
US-20200253978-A1 HETEROCYCLICS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR FGFR1, FGFR4, FGFR2 ERN1 3952/4885POLB 4403/4885CASP6 3823/4885
US-20250059161-A1 COMPOUNDS AND METHODS FOR MODULATING STAT3 STAT3, JAK2, STAT1 ERN1 1480/4885POLB 3690/4885CASP6 248/4885
US-10954251-B2 Thienopyrimidine inhibitors of atypical protein kinase C PRKX, PRKCQ, PRKACA ERN1 527/4885POLB 1212/4885CASP6 2651/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A ERN1 1013/4885POLB 4570/4885CASP6 1177/4885

“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.