SCHEMBL505423

SCHEMBL505423

Nc1c(I)cccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 1/20 0.61
▸ CASP7 P55210 1/20 0.61
▸ CASP6 P55212 1/20 0.61
▸ MMP2 P08253 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NAPRT Q6XQN6 3/20 0.44
▸ TSHR P16473 1/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ HMGB1 P09429 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA7 P43166 1/20 0.41

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
SCHEMBL526919 0.84 G6PD (0.74) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL2685882 0.83 ALDH1A1 (0.45) G6PDCASP7CASP6ALDH1A1TSHR
SCHEMBL30806223 0.81 G6PD (0.71) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL28281319 0.81 G6PD (0.71) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL73593 0.77 G6PD (0.65) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL608549 0.77 ALDH1A1 (0.52) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL9851131 0.77 G6PD (0.65) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL30797265 0.77 G6PD (0.65) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL30516691 0.77 ALDH1A1 (0.65) ALDH1A1ALOX15NAPRTTSHRNR4A1
SCHEMBL40612 0.77 ALDH1A1 (0.65) ALDH1A1ALOX15NAPRTTSHRNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794409-A The preparation method of thio -4 (1H) -one class compounds of -2,3- dihydroquinazolines of 2- 联化科技股份有限公司 2018-11-13 — — CN claimed
EP-3749325-B1 DREADD ACTUATORS US HEALTH (US) 2026-04-08 — — EP disclosed
WO-2024019149-A1 FLUX AND SOLDER PASTE 千住金属工業株式会社 2024-01-25 — — WO disclosed
WO-2024019147-A1 FLUX AND SOLDER PASTE 千住金属工業株式会社 2024-01-25 — — WO disclosed
WO-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — WO disclosed
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 — — US disclosed
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 — — US disclosed
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 — — US disclosed
US-11739063-B2 DREADD actuators THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-29 — — US disclosed
WO-2023150197-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2023-08-10 — — WO disclosed
US-20040198722-A1 Collections of compounds SPIROGEN LIMITED (GB) 2004-10-07 — — US disclosed
US-20040138495-A1 Combinatorial preparation of phosphorus-containing active compounds and intermediates by solid phase synthesis HAAF KLAUS 2004-07-15 — — US disclosed
US-6747144-B1 TREATING NEOPLASTIC DISEASES, ALZHEIMER'S DISEASE, BACTERIAL INFECTIONS, PARASITIC INFECTIONS OR VIRAL INFECTIONS SPIROGEN LIMITED (GB) 2004-06-08 — — US disclosed
US-20040077667-A1 Quinazolinone derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 — — US disclosed
CN-1489581-A Quinazolinone derivatives ����ҩƷ��ҵ��ʽ���� 2004-04-14 — — CN disclosed
EP-1355888-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 — — EP disclosed
US-20030108944-A1 COMBINATORIAL PREPARATIONS OF PHOSPHORUS-CONTAINING ACTIVE COMPOUNDS AND INTERMEDIATES BY SOLID PHASE SYNTHESIS HOECHST SCHERING AGREVO GMBH (DE) 2003-06-12 — — US disclosed
WO-2002048117-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 — — WO disclosed
EP-1107970-A2 COLLECTIONS OF COMPOUNDS Spirogen Limited (GB) 2001-06-20 — — EP disclosed
WO-2000012509-A2 COLLECTIONS OF COMPOUNDS SPIROGEN LIMITED (GB) 2000-03-09 — — 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 (6 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-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ G6PD 2101/4885CASP7 180/4885CASP6 444/4885
US-11739063-B2 DREADD actuators GRK1, GRK3, GRK2 G6PD 3014/4885CASP7 3972/4885CASP6 3591/4885
US-20040138495-A1 Combinatorial preparation of phosphorus-containing active compounds and intermediates by solid phase synthesis PHOSPHO1, PSPH, PPA1 G6PD 1090/4885CASP7 4233/4885CASP6 4313/4885
US-20030108944-A1 COMBINATORIAL PREPARATIONS OF PHOSPHORUS-CONTAINING ACTIVE COMPOUNDS AND INTERMEDIATES BY SOLID PHASE SYNTHESIS PHOSPHO1, PPA1, PSPH G6PD 1204/4885CASP7 4351/4885CASP6 4434/4885
US-20040198722-A1 Collections of compounds CBR3, H1-3, H1-0 G6PD 2111/4885CASP7 3025/4885CASP6 3833/4885
US-20040077667-A1 Quinazolinone derivatives PARP1, PARP9, PARP2 G6PD 234/4885CASP7 750/4885CASP6 1553/4885

“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.

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