SCHEMBL401773

SCHEMBL401773

C1=Cc2ncccc2Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
CYP11B2 P19099 3/20 0.38
CYP11B1 P15538 2/20 0.38
MET P08581 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ADRA1A P35348 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 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
SCHEMBL13859949 0.88 TSHR (0.35) TRPA1CA1CA2ADRA1ACA12
SCHEMBL24592151 0.85 CYP11B2 (0.40) CYP11B2CYP11B1CA1CA2ADRA1A
SCHEMBL13859947 0.83 CA12 (0.33) CYP11B2CYP11B1CA1CA2ADRA1A
SCHEMBL13859957 0.82 CYP11B1 (0.34) CYP11B2CYP11B1METCYP19A1
SCHEMBL13859951 0.82 CYP11B1 (0.37) CYP11B2CYP11B1CA1CA2CA12
SCHEMBL31586332 0.78 TRPA1 (0.50) TRPA1CYP11B2CYP11B1CA1CA2
SCHEMBL1953522 0.78 CYP11B2 (0.39) TRPA1CYP11B2CYP11B1CA1CA2
SCHEMBL283346 0.78 TRPA1 (0.50) TRPA1CYP11B2CYP11B1CA1CA2
SCHEMBL17936813 0.74
SCHEMBL2779620 0.74 GSK3A (0.39) CA1CA2CA12CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
US-11678498-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-13 US disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 US disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-06-08 US disclosed
EP-2872161-B1 DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS DEL MAR PHARMACEUTICALS (CA) 2020-12-16 EP disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US disclosed
US-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US disclosed
WO-1990013548-A1 HETEROCYCLIC N-OXIDE DERIVATIVES OF SUBSTITUTED BENZO[5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1990-11-15 WO disclosed
WO-1990013548-A1 HETEROCYCLIC N-OXIDE DERIVATIVES OF SUBSTITUTED BENZO[5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1990-11-15 WO disclosed
EP-0396083-A1 Heterocyclic N-oxide derivatives of substituted benzo[5,6]cycloheptapyridines, compositions and methods of use SCHERING CORPORATION (US) 1990-11-07 EP disclosed
EP-0396083-A1 Heterocyclic N-oxide derivatives of substituted benzo[5,6]cycloheptapyridines, compositions and methods of use SCHERING CORPORATION (US) 1990-11-07 EP disclosed
EP-0330673-A1 BENZO 5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1989-09-06 EP disclosed
EP-0270818-A1 Benzo(5,6)cycloheptapyridines, compositions and method of use SCHERING CORPORATION (US) 1988-06-15 EP disclosed
EP-0270818-A1 Benzo(5,6)cycloheptapyridines, compositions and method of use SCHERING CORPORATION (US) 1988-06-15 EP disclosed
WO-1988003138-A1 BENZO[5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1988-05-05 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT TRPA1 4875/4885CYP11B2 655/4885CYP11B1 1023/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT TRPA1 4875/4885CYP11B2 655/4885CYP11B1 1023/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT TRPA1 4875/4885CYP11B2 655/4885CYP11B1 1023/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 TRPA1 4788/4885CYP11B2 2642/4885CYP11B1 2447/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 TRPA1 4707/4885CYP11B2 4218/4885CYP11B1 3601/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 TRPA1 4788/4885CYP11B2 2642/4885CYP11B1 2447/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT TRPA1 4875/4885CYP11B2 655/4885CYP11B1 1023/4885
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DDOST, DAD1, PHGDH TRPA1 4871/4885CYP11B2 2013/4885CYP11B1 1947/4885

“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.