SCHEMBL979462

SCHEMBL979462

Nc1cccc2c1NCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
ADRA2B P18089 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KEAP1 Q14145 1/20 0.36
LMNA P02545 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
FABP6 P51161 1/20 0.33

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
SCHEMBL30343091 1.00 ITGB2 (0.38) ITGB2ICAM1ITGALADRA2AADRA2C
SCHEMBL5248739 0.77 ITGB2 (0.38) ITGB2ICAM1ITGALADRA2AADRA2C
SCHEMBL20756201 0.77 ADRA2A (0.40) ITGB2ICAM1ITGALADRA2AADRA2C
SCHEMBL3115776 0.77 ALDH1A1 (0.44) ITGB2ICAM1ITGALADRA2AADRA2C
SCHEMBL30641376 0.77 ADRA2A (0.40) ITGB2ICAM1ITGALADRA2AADRA2C
SCHEMBL16404623 0.77 MAPT (0.43) ITGB2ICAM1ITGALADRA2AADRA2C
SCHEMBL15202099 0.77 FABP6 (0.40) ITGB2ICAM1ITGALADRA2AADRA2C
SCHEMBL2085452 0.77 PARP1 (0.44) ALDH1A1HSD17B10GAAMAPTLMNA
SCHEMBL16931646 0.76 ADRA2A (0.52) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL12714478 0.75 FABP6 (0.43) ITGB2ICAM1ITGALALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 EP claimed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US claimed
US-12606533-B2 3-phenylpropylamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-04-21 US disclosed
US-12503447-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-12-23 US disclosed
US-20250353824-A1 3-PHENYLPROPYLAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-11-20 US disclosed
WO-2024259303-A1 COMPOUNDS AND COMPOSITIONS AS CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A SK LIFE SCIENCE LABS (US) 2024-12-19 WO disclosed
EP-4071140-B1 CFTR REGULATORS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2024-07-03 EP disclosed
EP-4071140-B1 CFTR REGULATORS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2024-07-03 EP disclosed
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed
CN-113929618-B Oxo-pyridine amide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-08-11 CN disclosed
CN-113912586-B Oxopyridine amide derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-04-07 CN disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US disclosed
EP-0705835-A1 Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 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 (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-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses CDC73, KRT18, PAH ITGB2 4728/4885ICAM1 4084/4885ITGAL 4517/4885
US-20250353824-A1 3-PHENYLPROPYLAMINE DERIVATIVE SF1, SF3A1, SFXN1 ITGB2 3278/4885ICAM1 1459/4885ITGAL 3795/4885
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B ITGB2 3156/4885ICAM1 4036/4885ITGAL 3423/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B ITGB2 3156/4885ICAM1 4036/4885ITGAL 3423/4885
US-12606533-B2 3-phenylpropylamine derivative SF3A1, SF1, HTR1D ITGB2 1723/4885ICAM1 1262/4885ITGAL 3404/4885
US-12503447-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 ITGB2 1886/4885ICAM1 3729/4885ITGAL 1531/4885

“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.