SCHEMBL21178611

SCHEMBL21178611

[N-]=[N+]=N[C@@H]1COc2cc(Br)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
AHR P35869 2/20 0.32
CA2 P00918 1/20 0.32
CYP19A1 P11511 1/20 0.32
HCRTR2 O43614 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
FFAR1 O14842 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 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
SCHEMBL21178545 1.00 ADRA2A (0.35) ADRA2ALMNAMAPTHTTBLM
SCHEMBL31603035 0.88 DRD2 (0.39) ADRA2ALMNAMAPTHTTBLM
SCHEMBL31603138 0.88 DRD2 (0.39) ADRA2ALMNAMAPTHTTBLM
SCHEMBL16794081 0.85 ADRA2A (0.44) ADRA2ALMNAMAPTHTTBLM
SCHEMBL21284776 0.81 CYP3A4 (0.42) MAPTCA2
SCHEMBL31183076 0.79 LMNA (0.37) ADRA2ALMNAMAPTHTTBLM
SCHEMBL16793586 0.76 KDM1A (0.32)
SCHEMBL17361754 0.75 FFAR1 (0.38) ADRA2ALMNAMAPTHTTBLM
SCHEMBL31064419 0.75 MAPT (0.31) MAPT
SCHEMBL21179003 0.73

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059173-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2025-02-20 US disclosed
EP-4491622-A2 CARDIAC SARCOMERE INHIBITORS Cytokinetics, Inc. (US) 2025-01-15 EP disclosed
EP-3740481-B9 DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2024-10-23 EP disclosed
US-12065436-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2024-08-20 US disclosed
EP-3740481-B1 DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2024-06-26 EP disclosed
CN-117964573-A Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-05-03 CN disclosed
CN-117924208-A Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-04-26 CN disclosed
CN-111757875-B Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-01-09 CN disclosed
US-20230119665-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2023-04-20 US disclosed
US-11472796-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2022-10-18 US disclosed
US-20210147399-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-05-20 US disclosed
EP-3740481-A1 DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS Cytokinetics, Inc. (US) 2020-11-25 EP disclosed
US-10836755-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2020-11-17 US disclosed
CN-111757875-A Dihydrobenzofuran and indene analogs as inotropic agents 赛特凯恩蒂克公司 2020-10-09 CN disclosed
US-20190256504-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2019-08-22 US disclosed
WO-2019144041-A1 DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2019-07-25 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 (7 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-20230119665-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 ADRA2A 394/4885LMNA 62/4885MAPT 2415/4885
US-10836755-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 ADRA2A 394/4885LMNA 62/4885MAPT 2415/4885
US-20210147399-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 ADRA2A 394/4885LMNA 62/4885MAPT 2415/4885
US-12065436-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 ADRA2A 394/4885LMNA 62/4885MAPT 2415/4885
US-11472796-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 ADRA2A 394/4885LMNA 62/4885MAPT 2415/4885
US-20190256504-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 ADRA2A 394/4885LMNA 62/4885MAPT 2415/4885
US-20250059173-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 ADRA2A 394/4885LMNA 62/4885MAPT 2415/4885

“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.